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

C10H11ClFN — CID 144708664

IUPAC5-chloro-2-fluoro-4-methylbenzonitrile;ethane
SMILESCC.Cc1cc(F)c(C#N)cc1Cl
InChIInChI=1S/C8H5ClFN.C2H6/c1-5-2-8(10)6(4-11)3-7(5)9;1-2/h2-3H,1H3;1-2H3
InChIKeyFXGNKMDFZZQOMA-UHFFFAOYSA-N
MW199.66 g/mol
LogP3.69
Rot. Bonds

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

5-chloro-2-fluoro-4-methylbenzonitrile;ethane (PubChem CID 144708664) has the molecular formula C10H11ClFN and a molecular weight of 199.66 g/mol. Its IUPAC name is 5-chloro-2-fluoro-4-methylbenzonitrile;ethane.

Molecular Properties

Compound Name5-chloro-2-fluoro-4-methylbenzonitrile;ethane
PubChem CID144708664
Molecular FormulaC10H11ClFN
Molecular Weight199.66 g/mol
Exact Mass199.06
IUPAC Name5-chloro-2-fluoro-4-methylbenzonitrile;ethane
SMILESCC.Cc1cc(F)c(C#N)cc1Cl
InChIInChI=1S/C8H5ClFN.C2H6/c1-5-2-8(10)6(4-11)3-7(5)9;1-2/h2-3H,1H3;1-2H3
InChIKeyFXGNKMDFZZQOMA-UHFFFAOYSA-N
XLogP3.69
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-fluoro-5-methylbenzonitrile
CID 34175419
4-chloro-5-fluoro-2-methylbenzonitrile;ethene
CID 164517256
5-chloro-2-fluoro-4-(trifluoromethyl)benzonitrile
CID 130779292
5-chloro-4-fluoro-2,3-dimethylbenzonitrile
CID 166921944
2-fluoro-4-methyl-5-nitrobenzonitrile
CID 59089198
4-fluoro-5-methylbenzene-1,2-dicarbonitrile
CID 146962290
5-[(2-bromo-5-chloro-4-methylanilino)methyl]-2-fluorobenzonitrile
CID 107880431
3-(5-chloro-2-fluoro-4-methylphenyl)-2,3-dihydroxypropanenitrile
CID 171870077
4-cyano-5-fluoro-2-methylbenzoic acid
CID 130980145
ethyl 2-chloro-5-cyano-4-fluorobenzoate
CID 134650896
2-chloro-4-hydroxy-5-methylbenzonitrile;ethane
CID 145267621
1-chloro-5-(difluoromethyl)-4-fluoro-2-methylbenzene
CID 130776793

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-4-methylbenzonitrile;ethane?
The IUPAC name of 5-chloro-2-fluoro-4-methylbenzonitrile;ethane (CID 144708664) is 5-chloro-2-fluoro-4-methylbenzonitrile;ethane.
What is the SMILES notation for 5-chloro-2-fluoro-4-methylbenzonitrile;ethane?
The canonical SMILES for 5-chloro-2-fluoro-4-methylbenzonitrile;ethane is CC.Cc1cc(F)c(C#N)cc1Cl.
What is the InChIKey of 5-chloro-2-fluoro-4-methylbenzonitrile;ethane?
The InChIKey is FXGNKMDFZZQOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFN.C2H6/c1-5-2-8(10)6(4-11)3-7(5)9;1-2/h2-3H,1H3;1-2H3.
What are the key properties of 5-chloro-2-fluoro-4-methylbenzonitrile;ethane?
5-chloro-2-fluoro-4-methylbenzonitrile;ethane has a molecular weight of 199.66 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-4-methylbenzonitrile;ethane is sourced from PubChem (CID 144708664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).