4-fluoro-3-(2-fluoro-4-phenylphenyl)benzonitrile

C19H11F2N — CID 138498827

IUPAC4-fluoro-3-(2-fluoro-4-phenylphenyl)benzonitrile
SMILESN#Cc1ccc(F)c(-c2ccc(-c3ccccc3)cc2F)c1
InChIInChI=1S/C19H11F2N/c20-18-9-6-13(12-22)10-17(18)16-8-7-15(11-19(16)21)14-4-2-1-3-5-14/h1-11H
InChIKeyPPJLTWOKDZOJFQ-UHFFFAOYSA-N
MW291.30 g/mol
LogP5.17
Rot. Bonds2

About 4-fluoro-3-(2-fluoro-4-phenylphenyl)benzonitrile

4-fluoro-3-(2-fluoro-4-phenylphenyl)benzonitrile (PubChem CID 138498827) has the molecular formula C19H11F2N and a molecular weight of 291.30 g/mol. Its IUPAC name is 4-fluoro-3-(2-fluoro-4-phenylphenyl)benzonitrile.

Molecular Properties

Compound Name4-fluoro-3-(2-fluoro-4-phenylphenyl)benzonitrile
PubChem CID138498827
Molecular FormulaC19H11F2N
Molecular Weight291.30 g/mol
Exact Mass291.09
IUPAC Name4-fluoro-3-(2-fluoro-4-phenylphenyl)benzonitrile
SMILESN#Cc1ccc(F)c(-c2ccc(-c3ccccc3)cc2F)c1
InChIInChI=1S/C19H11F2N/c20-18-9-6-13(12-22)10-17(18)16-8-7-15(11-19(16)21)14-4-2-1-3-5-14/h1-11H
InChIKeyPPJLTWOKDZOJFQ-UHFFFAOYSA-N
XLogP5.17
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.30
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-3-phenylbenzonitrile
CID 46314741
3-[5-(2,6-diphenylpyrimidin-4-yl)-2-fluorophenyl]-4-fluorobenzonitrile
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3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorobenzonitrile
CID 134476233
3-(4-chlorophenyl)-4-fluorobenzonitrile
CID 82115906
3-fluoro-6-(2-fluoro-4-phenylphenyl)pyridine-2-carbonitrile
CID 172968789
4-(2-fluoro-5-phenylphenyl)-2,6-diphenylbenzonitrile
CID 139035866
4-(2-fluorophenyl)benzonitrile;4-(4-fluorophenyl)benzonitrile;4-phenylbenzonitrile
CID 157446413
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
2,3-difluoro-1-(2-fluoro-4-phenylphenyl)-4-phenylbenzene
CID 130387899
3-[2-(4-cyanophenyl)-4-(3,4-difluorophenyl)-3-fluoro-5-(2-fluorophenyl)-6-phenylphenyl]benzonitrile
CID 141429006
4-fluoro-3-(3-hydroxy-4-methylphenyl)benzonitrile
CID 53218907
5-fluorotricyclo[5.2.2.12,6]dodeca-1(9),2(12),3,5,7,10-hexaene-8-carbonitrile
CID 57247188

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(2-fluoro-4-phenylphenyl)benzonitrile?
The IUPAC name of 4-fluoro-3-(2-fluoro-4-phenylphenyl)benzonitrile (CID 138498827) is 4-fluoro-3-(2-fluoro-4-phenylphenyl)benzonitrile.
What is the SMILES notation for 4-fluoro-3-(2-fluoro-4-phenylphenyl)benzonitrile?
The canonical SMILES for 4-fluoro-3-(2-fluoro-4-phenylphenyl)benzonitrile is N#Cc1ccc(F)c(-c2ccc(-c3ccccc3)cc2F)c1.
What is the InChIKey of 4-fluoro-3-(2-fluoro-4-phenylphenyl)benzonitrile?
The InChIKey is PPJLTWOKDZOJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F2N/c20-18-9-6-13(12-22)10-17(18)16-8-7-15(11-19(16)21)14-4-2-1-3-5-14/h1-11H.
What are the key properties of 4-fluoro-3-(2-fluoro-4-phenylphenyl)benzonitrile?
4-fluoro-3-(2-fluoro-4-phenylphenyl)benzonitrile has a molecular weight of 291.30 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(2-fluoro-4-phenylphenyl)benzonitrile is sourced from PubChem (CID 138498827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).