Chloroethene;ethene

CAS 63231-66-3  ·  C4H7Cl  ·  MW 90.55 g/mol

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3D model Chloroethene;ethene, CAS 63231-66-3, molecular formula C4H7Cl, molar mass 90.55 g/mol
About Chloroethene;ethene

Chloroethene;ethene is a chemical compound registered under number CAS 63231-66-3, with the molecular formula C4H7Cl, and a molar mass of 90.55 g/mol.

The molecule contains 12 atoms connected by 10 chemical bonds. The full systematic IUPAC name of this compound is chloroethene;ethene. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, polar surface area PSA = 0 Ų, 0 donors and 0 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC4H7Cl
Molar mass90.55 g/mol
IUPACchloroethene;ethene
SMILESC=C.C=CCl
InChIKeyKRGNPJFAKZHQPS-UHFFFAOYSA-N
logP (XLogP3)—
PSA0 Ų
HBD / HBA0 / 0
PubChem CIDCID 18331983 ↗
Scientific literature

Brak articles naukowych dla CAS 63231-66-3 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
chloroethene;ethene · 63231-66-3 · SCHEMBL166727 · SCHEMBL7975093 · KRGNPJFAKZHQPS-UHFFFAOYSA-N
Data sources
Related molecules
📜 License & provenancePREDICTED MODEL · NOT VERIFIEDMolGod_License_1
PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors
ILLUSTRATIVE FRAGMENT ARRANGEMENT — relative positions are not structural data

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94 force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

This substance consists of 2 separate components (for example ions). Each component was computed separately; they are arranged radially around a layout anchor for visualisation only (at least 3.0 Å apart). Their relative positions are not a crystal structure, coordination geometry, ionic contacts or any experimentally determined arrangement.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
  3. Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
  4. Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
  5. Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
  6. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
  7. Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/18331983
  8. Bolton EE, Kim S, Bryant SH. PubChem3D: Conformer generation. J. Cheminform. 2011, 3, 4. doi:10.1186/1758-2946-3-4 (cited for contrast: no source 3-D conformer was available to MolGod for this record)
Chloroethene;ethene (CAS 63231-66-3), C4H7Cl - 3D ball-and-stick molecular model, engraved element symbols (C H Cl), MolGod STL previewDownload image

MG-STL-63231-66-3-ENGRAVED · 148,084 △ · 7 MB · SHA-256 f98b113b9f84fd2b

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Chloroethene;ethene (CAS 63231-66-3), C4H7Cl - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-63231-66-3-NORMAL · 4,992 △ · 244 KB · SHA-256 2d2cbc592f879a07

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Model
Chloroethene;ethene · 63231-66-3
InChIKey
KRGNPJFAKZHQPS-UHFFFAOYSA-N
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Chloroethene;ethene (CAS 63231-66-3)
License & provenance record
Chloroethene;ethene (CAS 63231-66-3) →
MolGod molecule record
Chloroethene;ethene →
Source data
PubChem CID 18331983 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
2d2cbc592f879a0758f1bb10779f0016b495e77591ce6afd66cc95690642d4d8
MD5 (STL)
a61a13426e313984477fde3bf96b8296
Model identifier
MG-STL-63231-66-3
Transformation
MolGod Scientific ball-and-stick mesh
Changes
PREDICTED geometry computed by MolGod Scientific (RDKit), NOT verified; rendered as a triangulated mesh.
Wikimedia Commons
not published yet

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

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