4-[(4-fluorophenyl)methoxy]benzonitrile

C14H10FNO — CID 2243494

IUPAC4-[(4-fluorophenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C14H10FNO/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14/h1-8H,10H2
InChIKeyXRYRTHRDVUSSMA-UHFFFAOYSA-N
MW227.24 g/mol
LogP3.28
Rot. Bonds3

About 4-[(4-fluorophenyl)methoxy]benzonitrile

4-[(4-fluorophenyl)methoxy]benzonitrile (PubChem CID 2243494) has the molecular formula C14H10FNO and a molecular weight of 227.24 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]benzonitrile
PubChem CID2243494
Molecular FormulaC14H10FNO
Molecular Weight227.24 g/mol
Exact Mass227.07
IUPAC Name4-[(4-fluorophenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C14H10FNO/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14/h1-8H,10H2
InChIKeyXRYRTHRDVUSSMA-UHFFFAOYSA-N
XLogP3.28
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(4-fluorophenyl)methoxy]benzonitrile 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 4-[(4-fluorophenyl)methoxy]benzonitrile?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]benzonitrile (CID 2243494) is 4-[(4-fluorophenyl)methoxy]benzonitrile.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]benzonitrile?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]benzonitrile is N#Cc1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]benzonitrile?
The InChIKey is XRYRTHRDVUSSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14/h1-8H,10H2.
What are the key properties of 4-[(4-fluorophenyl)methoxy]benzonitrile?
4-[(4-fluorophenyl)methoxy]benzonitrile has a molecular weight of 227.24 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]benzonitrile is sourced from PubChem (CID 2243494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).