4-(2-fluoro-4-methylphenyl)benzonitrile

C14H10FN — CID 18724351

IUPAC4-(2-fluoro-4-methylphenyl)benzonitrile
SMILESCc1ccc(-c2ccc(C#N)cc2)c(F)c1
InChIInChI=1S/C14H10FN/c1-10-2-7-13(14(15)8-10)12-5-3-11(9-16)4-6-12/h2-8H,1H3
InChIKeyQLSNVABODCOLNS-UHFFFAOYSA-N
MW211.24 g/mol
LogP3.67
Rot. Bonds1

About 4-(2-fluoro-4-methylphenyl)benzonitrile

4-(2-fluoro-4-methylphenyl)benzonitrile (PubChem CID 18724351) has the molecular formula C14H10FN and a molecular weight of 211.24 g/mol. Its IUPAC name is 4-(2-fluoro-4-methylphenyl)benzonitrile.

Molecular Properties

Compound Name4-(2-fluoro-4-methylphenyl)benzonitrile
PubChem CID18724351
Molecular FormulaC14H10FN
Molecular Weight211.24 g/mol
Exact Mass211.08
IUPAC Name4-(2-fluoro-4-methylphenyl)benzonitrile
SMILESCc1ccc(-c2ccc(C#N)cc2)c(F)c1
InChIInChI=1S/C14H10FN/c1-10-2-7-13(14(15)8-10)12-5-3-11(9-16)4-6-12/h2-8H,1H3
InChIKeyQLSNVABODCOLNS-UHFFFAOYSA-N
XLogP3.67
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methylphenyl)benzonitrile?
The IUPAC name of 4-(2-fluoro-4-methylphenyl)benzonitrile (CID 18724351) is 4-(2-fluoro-4-methylphenyl)benzonitrile.
What is the SMILES notation for 4-(2-fluoro-4-methylphenyl)benzonitrile?
The canonical SMILES for 4-(2-fluoro-4-methylphenyl)benzonitrile is Cc1ccc(-c2ccc(C#N)cc2)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methylphenyl)benzonitrile?
The InChIKey is QLSNVABODCOLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN/c1-10-2-7-13(14(15)8-10)12-5-3-11(9-16)4-6-12/h2-8H,1H3.
What are the key properties of 4-(2-fluoro-4-methylphenyl)benzonitrile?
4-(2-fluoro-4-methylphenyl)benzonitrile has a molecular weight of 211.24 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methylphenyl)benzonitrile is sourced from PubChem (CID 18724351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).