1-Nitro-2-(trifluoromethoxy)benzene

CAS 1644-88-8  ·  C7H4F3NO3  ·  MW 207.11 g/mol

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3D model 1-Nitro-2-(trifluoromethoxy)benzene, CAS 1644-88-8, molecular formula C7H4F3NO3, molar mass 207.11 g/mol
About 1-Nitro-2-(trifluoromethoxy)benzene

1-Nitro-2-(trifluoromethoxy)benzene is a chemical compound registered under number CAS 1644-88-8, with the molecular formula C7H4F3NO3, and a molar mass of 207.11 g/mol.

The molecule contains 18 atoms connected by 18 chemical bonds. The full systematic IUPAC name of this compound is 1-nitro-2-(trifluoromethoxy)benzene. 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, the partition coefficient logP = 2.9 (positive value, a lipophilic compound), polar surface area PSA = 55.1 Ų, 0 donors and 6 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 formulaC7H4F3NO3
Masa molowa207.11 g/mol
IUPAC1-nitro-2-(trifluoromethoxy)benzene
SMILESC1=CC=C(C(=C1)[N+](=O)[O-])OC(F)(F)F
InChIKeyYTWBYJAWWKTPOV-UHFFFAOYSA-N
logP (XLogP3)2.9
PSA55.1 Ų
HBD / HBA0 / 6
PubChem CIDCID 12513085 ↗
Scientific literature

Related literature

13 articles · 3 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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📈 Publication timeline (13 articles)

1907: 1 articles19071980: 3 articles1997: 1 articles2002: 1 articles2005: 1 articles20052007: 2 articles2016: 1 articles2017: 1 articles2019: 1 articles2019

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Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
1-nitro-2-(trifluoromethoxy)benzene · 1644-88-8 · RefChem:232406 · DTXCID20451752 · 2-(trifluoromethoxy)nitrobenzene · MFCD00041010 · Benzene, 1-nitro-2-(trifluoromethoxy)- · trifluoromethoxynitrobenzene · 2-trifluoromethoxy-nitrobenzene · SCHEMBL6112961 · O-nitrotrifluoromethoxybenzene · 2-Nitro Trifluoro · SCHEMBL8072962 · SCHEMBL10813870 · SCHEMBL10819050
Data sources
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📜 License & provenanceMolGod_License_1
1-Nitro-2-(trifluoromethoxy)benzene (CAS 1644-88-8), C7H4F3NO3 - 3D ball-and-stick molecular model, engraved element symbols (C H F N O), MolGod STL previewPobierz obraz

MG-STL-1644-88-8-GRAVERED · 93,888 △ · 4 MB · SHA-256 129a4af634ee9cc6

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Model
1-Nitro-2-(trifluoromethoxy)benzene · 1644-88-8
InChIKey
YTWBYJAWWKTPOV-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — 1-Nitro-2-(trifluoromethoxy)benzene (CAS 1644-88-8)
License & provenance record
1-Nitro-2-(trifluoromethoxy)benzene (CAS 1644-88-8) →
MolGod molecule record
1-Nitro-2-(trifluoromethoxy)benzene →
Source data
PubChem CID 12513085 ↗
Model information
STL generated by MolGod · MolGod STL Exporter @ 8b6dfdd · generated 2026-09-26
SHA-256 (STL)
78a0b5be23729c7d843cb96417a365ec37ab5a41461a9cd0415b4126959bfc5b
MD5 (STL)
56b1bc77ec6c8c69df7fa70ddfeffc9f
Model identifier
MG-STL-1644-88-8
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
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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