4-chloro-5-fluoro-2-methylbenzonitrile;ethene

C10H9ClFN — CID 164517256

IUPAC4-chloro-5-fluoro-2-methylbenzonitrile;ethene
SMILESC=C.Cc1cc(Cl)c(F)cc1C#N
InChIInChI=1S/C8H5ClFN.C2H4/c1-5-2-7(9)8(10)3-6(5)4-11;1-2/h2-3H,1H3;1-2H2
InChIKeyHFFQCIBSJHYOLS-UHFFFAOYSA-N
MW197.64 g/mol
LogP3.46
Rot. Bonds

About 4-chloro-5-fluoro-2-methylbenzonitrile;ethene

4-chloro-5-fluoro-2-methylbenzonitrile;ethene (PubChem CID 164517256) has the molecular formula C10H9ClFN and a molecular weight of 197.64 g/mol. Its IUPAC name is 4-chloro-5-fluoro-2-methylbenzonitrile;ethene.

Molecular Properties

Compound Name4-chloro-5-fluoro-2-methylbenzonitrile;ethene
PubChem CID164517256
Molecular FormulaC10H9ClFN
Molecular Weight197.64 g/mol
Exact Mass197.04
IUPAC Name4-chloro-5-fluoro-2-methylbenzonitrile;ethene
SMILESC=C.Cc1cc(Cl)c(F)cc1C#N
InChIInChI=1S/C8H5ClFN.C2H4/c1-5-2-7(9)8(10)3-6(5)4-11;1-2/h2-3H,1H3;1-2H2
InChIKeyHFFQCIBSJHYOLS-UHFFFAOYSA-N
XLogP3.46
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.64
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-chloro-2-methylbenzonitrile
CID 131441428
2-(4-chloro-5-fluoro-2-methylphenyl)-2-methylpropanenitrile
CID 84782008
5-chloro-2-fluoro-4-methylbenzonitrile;ethane
CID 144708664
4-fluoro-5-methylbenzene-1,2-dicarbonitrile
CID 146962290
1-chloro-2,4-difluoro-5-methylbenzene
CID 58691509
2-chloro-5-cyano-4-methylbenzenesulfonyl chloride
CID 130960866
4-fluoro-5-formyl-2-methylbenzonitrile
CID 59370534
5-chloro-4-fluoro-2,3-dimethylbenzonitrile
CID 166921944
4-(4,4-dichloro-3-oxobut-1-ynyl)-5-fluoro-2-methylbenzonitrile
CID 22959838
2,3,5-trifluoro-4-methylbenzonitrile
CID 24820344
5-(2-chloroacetyl)-4-fluoro-2-methylbenzonitrile
CID 171010953
2-(4-chloro-2,5-difluorophenyl)-2-methylpropanenitrile
CID 84784282

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-2-methylbenzonitrile;ethene?
The IUPAC name of 4-chloro-5-fluoro-2-methylbenzonitrile;ethene (CID 164517256) is 4-chloro-5-fluoro-2-methylbenzonitrile;ethene.
What is the SMILES notation for 4-chloro-5-fluoro-2-methylbenzonitrile;ethene?
The canonical SMILES for 4-chloro-5-fluoro-2-methylbenzonitrile;ethene is C=C.Cc1cc(Cl)c(F)cc1C#N.
What is the InChIKey of 4-chloro-5-fluoro-2-methylbenzonitrile;ethene?
The InChIKey is HFFQCIBSJHYOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFN.C2H4/c1-5-2-7(9)8(10)3-6(5)4-11;1-2/h2-3H,1H3;1-2H2.
What are the key properties of 4-chloro-5-fluoro-2-methylbenzonitrile;ethene?
4-chloro-5-fluoro-2-methylbenzonitrile;ethene has a molecular weight of 197.64 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-2-methylbenzonitrile;ethene is sourced from PubChem (CID 164517256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).