2-fluoro-6-(furan-2-yl)benzonitrile

C11H6FNO — CID 114898559

IUPAC2-fluoro-6-(furan-2-yl)benzonitrile
SMILESN#Cc1c(F)cccc1-c1ccco1
InChIInChI=1S/C11H6FNO/c12-10-4-1-3-8(9(10)7-13)11-5-2-6-14-11/h1-6H
InChIKeyUXIBDERNEMUDKN-UHFFFAOYSA-N
MW187.17 g/mol
LogP2.96
Rot. Bonds1

About 2-fluoro-6-(furan-2-yl)benzonitrile

2-fluoro-6-(furan-2-yl)benzonitrile (PubChem CID 114898559) has the molecular formula C11H6FNO and a molecular weight of 187.17 g/mol. Its IUPAC name is 2-fluoro-6-(furan-2-yl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(furan-2-yl)benzonitrile
PubChem CID114898559
Molecular FormulaC11H6FNO
Molecular Weight187.17 g/mol
Exact Mass187.04
IUPAC Name2-fluoro-6-(furan-2-yl)benzonitrile
SMILESN#Cc1c(F)cccc1-c1ccco1
InChIInChI=1S/C11H6FNO/c12-10-4-1-3-8(9(10)7-13)11-5-2-6-14-11/h1-6H
InChIKeyUXIBDERNEMUDKN-UHFFFAOYSA-N
XLogP2.96
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-6-(furan-2-yl)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 2-fluoro-6-(furan-2-yl)benzonitrile?
The IUPAC name of 2-fluoro-6-(furan-2-yl)benzonitrile (CID 114898559) is 2-fluoro-6-(furan-2-yl)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(furan-2-yl)benzonitrile?
The canonical SMILES for 2-fluoro-6-(furan-2-yl)benzonitrile is N#Cc1c(F)cccc1-c1ccco1.
What is the InChIKey of 2-fluoro-6-(furan-2-yl)benzonitrile?
The InChIKey is UXIBDERNEMUDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FNO/c12-10-4-1-3-8(9(10)7-13)11-5-2-6-14-11/h1-6H.
What are the key properties of 2-fluoro-6-(furan-2-yl)benzonitrile?
2-fluoro-6-(furan-2-yl)benzonitrile has a molecular weight of 187.17 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(furan-2-yl)benzonitrile is sourced from PubChem (CID 114898559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).