4-[4-(2-fluorophenyl)-2-methylphenyl]benzonitrile

C20H14FN — CID 118264823

IUPAC4-[4-(2-fluorophenyl)-2-methylphenyl]benzonitrile
SMILESCc1cc(-c2ccccc2F)ccc1-c1ccc(C#N)cc1
InChIInChI=1S/C20H14FN/c1-14-12-17(19-4-2-3-5-20(19)21)10-11-18(14)16-8-6-15(13-22)7-9-16/h2-12H,1H3
InChIKeyQXJDGSUTKRSXRX-UHFFFAOYSA-N
MW287.34 g/mol
LogP5.34
Rot. Bonds2

About 4-[4-(2-fluorophenyl)-2-methylphenyl]benzonitrile

4-[4-(2-fluorophenyl)-2-methylphenyl]benzonitrile (PubChem CID 118264823) has the molecular formula C20H14FN and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)-2-methylphenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)-2-methylphenyl]benzonitrile
PubChem CID118264823
Molecular FormulaC20H14FN
Molecular Weight287.34 g/mol
Exact Mass287.11
IUPAC Name4-[4-(2-fluorophenyl)-2-methylphenyl]benzonitrile
SMILESCc1cc(-c2ccccc2F)ccc1-c1ccc(C#N)cc1
InChIInChI=1S/C20H14FN/c1-14-12-17(19-4-2-3-5-20(19)21)10-11-18(14)16-8-6-15(13-22)7-9-16/h2-12H,1H3
InChIKeyQXJDGSUTKRSXRX-UHFFFAOYSA-N
XLogP5.34
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.34
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-[4-[[4-[4-(4-cyanophenyl)-3-methylphenyl]-3-fluorophenoxy]methoxy]-2-fluorophenyl]-2-methylphenyl]benzonitrile
CID 118260658
4-(2-fluorophenyl)benzonitrile;4-(4-fluorophenyl)benzonitrile;4-phenylbenzonitrile
CID 157446413
4-(2-fluoro-4-methylphenyl)benzonitrile
CID 18724351
3-fluoro-4-[4-(hydroxymethyl)-3-methylphenyl]benzonitrile
CID 71192142
4-[4-[4-(4-cyanophenyl)-3-methyl-N-[3-methyl-4-[4-(N-phenylanilino)phenyl]phenyl]anilino]-2-methylphenyl]benzonitrile
CID 122435879
4-[4-[[4-(4-cyanophenyl)-3-methylphenyl]methyl]-2-methylphenyl]benzonitrile
CID 118245635
3-[2-fluoro-3-(2-fluorophenyl)-4-methylphenyl]benzonitrile
CID 173035593
3-[2-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 90722010
2-methyl-1-phenyl-4-(2-phenylphenyl)benzene
CID 59171665
1,4-bis(2-fluorophenyl)benzene
CID 58121760
4-(4-hydroxyphenyl)-3-methylbenzonitrile
CID 22274632
2-fluoro-6-(4-fluoro-3-methylphenyl)benzonitrile
CID 114898472

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)-2-methylphenyl]benzonitrile?
The IUPAC name of 4-[4-(2-fluorophenyl)-2-methylphenyl]benzonitrile (CID 118264823) is 4-[4-(2-fluorophenyl)-2-methylphenyl]benzonitrile.
What is the SMILES notation for 4-[4-(2-fluorophenyl)-2-methylphenyl]benzonitrile?
The canonical SMILES for 4-[4-(2-fluorophenyl)-2-methylphenyl]benzonitrile is Cc1cc(-c2ccccc2F)ccc1-c1ccc(C#N)cc1.
What is the InChIKey of 4-[4-(2-fluorophenyl)-2-methylphenyl]benzonitrile?
The InChIKey is QXJDGSUTKRSXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN/c1-14-12-17(19-4-2-3-5-20(19)21)10-11-18(14)16-8-6-15(13-22)7-9-16/h2-12H,1H3.
What are the key properties of 4-[4-(2-fluorophenyl)-2-methylphenyl]benzonitrile?
4-[4-(2-fluorophenyl)-2-methylphenyl]benzonitrile has a molecular weight of 287.34 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)-2-methylphenyl]benzonitrile is sourced from PubChem (CID 118264823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).