3-(2,6-difluorophenyl)benzonitrile

C13H7F2N — CID 83810039

IUPAC3-(2,6-difluorophenyl)benzonitrile
SMILESN#Cc1cccc(-c2c(F)cccc2F)c1
InChIInChI=1S/C13H7F2N/c14-11-5-2-6-12(15)13(11)10-4-1-3-9(7-10)8-16/h1-7H
InChIKeyBFWOUVWXRKKEIS-UHFFFAOYSA-N
MW215.20 g/mol
LogP3.50
Rot. Bonds1

About 3-(2,6-difluorophenyl)benzonitrile

3-(2,6-difluorophenyl)benzonitrile (PubChem CID 83810039) has the molecular formula C13H7F2N and a molecular weight of 215.20 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)benzonitrile.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)benzonitrile
PubChem CID83810039
Molecular FormulaC13H7F2N
Molecular Weight215.20 g/mol
Exact Mass215.05
IUPAC Name3-(2,6-difluorophenyl)benzonitrile
SMILESN#Cc1cccc(-c2c(F)cccc2F)c1
InChIInChI=1S/C13H7F2N/c14-11-5-2-6-12(15)13(11)10-4-1-3-9(7-10)8-16/h1-7H
InChIKeyBFWOUVWXRKKEIS-UHFFFAOYSA-N
XLogP3.50
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-(2,4-difluoro-3-pyridinyl)benzonitrile
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3-(2,6-difluoro-3-hydroxyphenyl)benzonitrile
CID 56997957
3-(3,5-difluoro-4-methylphenyl)benzonitrile
CID 158541554
3-(2,6-dibromophenyl)benzonitrile
CID 153317641
3-[2-(3-ethoxyphenyl)-3-fluorophenyl]benzonitrile
CID 70306985
3-[2-fluoro-3-(2-fluorophenyl)-4-methylphenyl]benzonitrile
CID 173035593
3-(10-phenylanthracen-9-yl)benzonitrile
CID 89026886
3-[2-(4-cyanophenyl)-4-(3,4-difluorophenyl)-3-fluoro-5-(2-fluorophenyl)-6-phenylphenyl]benzonitrile
CID 141429006
3-(3-methyl-1-oxo-2H-isoquinolin-4-yl)benzonitrile
CID 11694572
3-fluorobenzonitrile;hydrochloride
CID 140590350
3-[5-(3-cyanophenyl)thiophen-2-yl]benzonitrile
CID 11243141

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)benzonitrile?
The IUPAC name of 3-(2,6-difluorophenyl)benzonitrile (CID 83810039) is 3-(2,6-difluorophenyl)benzonitrile.
What is the SMILES notation for 3-(2,6-difluorophenyl)benzonitrile?
The canonical SMILES for 3-(2,6-difluorophenyl)benzonitrile is N#Cc1cccc(-c2c(F)cccc2F)c1.
What is the InChIKey of 3-(2,6-difluorophenyl)benzonitrile?
The InChIKey is BFWOUVWXRKKEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2N/c14-11-5-2-6-12(15)13(11)10-4-1-3-9(7-10)8-16/h1-7H.
What are the key properties of 3-(2,6-difluorophenyl)benzonitrile?
3-(2,6-difluorophenyl)benzonitrile has a molecular weight of 215.20 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)benzonitrile is sourced from PubChem (CID 83810039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).