2-[4-[(4-fluorophenyl)methyl]phenyl]acetonitrile

C15H12FN — CID 14461233

IUPAC2-[4-[(4-fluorophenyl)methyl]phenyl]acetonitrile
SMILESN#CCc1ccc(Cc2ccc(F)cc2)cc1
InChIInChI=1S/C15H12FN/c16-15-7-5-14(6-8-15)11-13-3-1-12(2-4-13)9-10-17/h1-8H,9,11H2
InChIKeyZXFNZSKWUWBBND-UHFFFAOYSA-N
MW225.27 g/mol
LogP3.48
Rot. Bonds3

About 2-[4-[(4-fluorophenyl)methyl]phenyl]acetonitrile

2-[4-[(4-fluorophenyl)methyl]phenyl]acetonitrile (PubChem CID 14461233) has the molecular formula C15H12FN and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methyl]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methyl]phenyl]acetonitrile
PubChem CID14461233
Molecular FormulaC15H12FN
Molecular Weight225.27 g/mol
Exact Mass225.10
IUPAC Name2-[4-[(4-fluorophenyl)methyl]phenyl]acetonitrile
SMILESN#CCc1ccc(Cc2ccc(F)cc2)cc1
InChIInChI=1S/C15H12FN/c16-15-7-5-14(6-8-15)11-13-3-1-12(2-4-13)9-10-17/h1-8H,9,11H2
InChIKeyZXFNZSKWUWBBND-UHFFFAOYSA-N
XLogP3.48
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(4-fluoroanilino)phenyl]acetonitrile
CID 82537219
2-(4-hydroxyphenyl)acetonitrile
CID 26548
2-[4-(2,2,2-trifluoroethyl)phenyl]acetonitrile
CID 84668654
2-[4-fluoro-3-(4-fluorophenoxy)phenyl]acetonitrile
CID 54234925
2-[3-[(4-fluorophenyl)methoxy]phenyl]acetonitrile
CID 170886344
ethane;2-(4-ethylphenyl)acetonitrile
CID 143828452
2-[4-[4-(cyanomethyl)anilino]phenyl]acetonitrile
CID 170886404
3-[4-(cyanomethyl)phenyl]propanenitrile
CID 55267944
[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9040901
(E)-N-[4-(cyanomethyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 9193784
2,2-dichloro-3-(4-fluorophenyl)propanenitrile
CID 54200981
4-(cyanomethyl)benzenesulfonyl fluoride
CID 165452761

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methyl]phenyl]acetonitrile?
The IUPAC name of 2-[4-[(4-fluorophenyl)methyl]phenyl]acetonitrile (CID 14461233) is 2-[4-[(4-fluorophenyl)methyl]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methyl]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methyl]phenyl]acetonitrile is N#CCc1ccc(Cc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methyl]phenyl]acetonitrile?
The InChIKey is ZXFNZSKWUWBBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN/c16-15-7-5-14(6-8-15)11-13-3-1-12(2-4-13)9-10-17/h1-8H,9,11H2.
What are the key properties of 2-[4-[(4-fluorophenyl)methyl]phenyl]acetonitrile?
2-[4-[(4-fluorophenyl)methyl]phenyl]acetonitrile has a molecular weight of 225.27 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methyl]phenyl]acetonitrile is sourced from PubChem (CID 14461233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).