Alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-5-nitroxylene

CAS 328-75-6  ·  C8H3F6NO2  ·  MW 259.10 g/mol

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3D model alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-5-nitroxylene, CAS 328-75-6, molecular formula C8H3F6NO2, molar mass 259.10 g/mol
About Alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-5-nitroxylene

Alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-5-nitroxylene is a chemical compound registered under number CAS 328-75-6, with the molecular formula C8H3F6NO2, and a molar mass of 259.10 g/mol.

The molecule contains 20 atoms connected by 20 chemical bonds. The full systematic IUPAC name of this compound is 1-nitro-3,5-bis(trifluoromethyl)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 = 4.1 (positive value, a lipophilic compound), polar surface area PSA = 45.8 Ų, 0 donors and 8 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 formulaC8H3F6NO2
Masa molowa259.10 g/mol
IUPAC1-nitro-3,5-bis(trifluoromethyl)benzene
SMILESC1=C(C=C(C=C1C(F)(F)F)[N+](=O)[O-])C(F)(F)F
InChIKeyGMUWJDVVXLBMEZ-UHFFFAOYSA-N
logP (XLogP3)4.1
PSA45.8 Ų
HBD / HBA0 / 8
PubChem CIDCID 67603 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H335 — Może powodować podrażnienie dróg oddechowych

Scientific literature

Related literature

14 articles · 1 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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📈 Publication timeline (14 articles)

1971: 2 articles19711986: 1 articles1987: 1 articles1990: 1 articles1997: 1 articles1998: 1 articles19982001: 1 articles2013: 1 articles2014: 1 articles2020: 1 articles2020

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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.

Data sources
Related molecules
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📜 License & provenanceMolGod_License_1
Model
alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-5-nitroxylene · 328-75-6
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MolGod Scientific
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Source data
PubChem CID 67603 ↗
SHA-256 (STL)
3d5f23b3a926e1aeb4ca31a8c52d5b0a06c6c19c5d4c0d2b2291b4331b6568ab
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