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

C15H12FNO — CID 24690924

IUPAC2-[4-[(4-fluorophenyl)methoxy]phenyl]acetonitrile
SMILESN#CCc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H12FNO/c16-14-5-1-13(2-6-14)11-18-15-7-3-12(4-8-15)9-10-17/h1-8H,9,11H2
InChIKeyPXFUNIXWNXRVEJ-UHFFFAOYSA-N
MW241.26 g/mol
LogP3.47
Rot. Bonds4

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

2-[4-[(4-fluorophenyl)methoxy]phenyl]acetonitrile (PubChem CID 24690924) has the molecular formula C15H12FNO and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methoxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methoxy]phenyl]acetonitrile
PubChem CID24690924
Molecular FormulaC15H12FNO
Molecular Weight241.26 g/mol
Exact Mass241.09
IUPAC Name2-[4-[(4-fluorophenyl)methoxy]phenyl]acetonitrile
SMILESN#CCc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H12FNO/c16-14-5-1-13(2-6-14)11-18-15-7-3-12(4-8-15)9-10-17/h1-8H,9,11H2
InChIKeyPXFUNIXWNXRVEJ-UHFFFAOYSA-N
XLogP3.47
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-[(4-fluorophenyl)methoxy]phenyl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methoxy]phenyl]acetonitrile?
The IUPAC name of 2-[4-[(4-fluorophenyl)methoxy]phenyl]acetonitrile (CID 24690924) is 2-[4-[(4-fluorophenyl)methoxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methoxy]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methoxy]phenyl]acetonitrile is N#CCc1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methoxy]phenyl]acetonitrile?
The InChIKey is PXFUNIXWNXRVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO/c16-14-5-1-13(2-6-14)11-18-15-7-3-12(4-8-15)9-10-17/h1-8H,9,11H2.
What are the key properties of 2-[4-[(4-fluorophenyl)methoxy]phenyl]acetonitrile?
2-[4-[(4-fluorophenyl)methoxy]phenyl]acetonitrile has a molecular weight of 241.26 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methoxy]phenyl]acetonitrile is sourced from PubChem (CID 24690924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).