2-fluoro-4-(furan-2-yl)benzonitrile

C11H6FNO — CID 130938678

IUPAC2-fluoro-4-(furan-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccco2)cc1F
InChIInChI=1S/C11H6FNO/c12-10-6-8(3-4-9(10)7-13)11-2-1-5-14-11/h1-6H
InChIKeyMFRUMOBAHWKUCO-UHFFFAOYSA-N
MW187.17 g/mol
LogP2.96
Rot. Bonds1

About 2-fluoro-4-(furan-2-yl)benzonitrile

2-fluoro-4-(furan-2-yl)benzonitrile (PubChem CID 130938678) has the molecular formula C11H6FNO and a molecular weight of 187.17 g/mol. Its IUPAC name is 2-fluoro-4-(furan-2-yl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-(furan-2-yl)benzonitrile
PubChem CID130938678
Molecular FormulaC11H6FNO
Molecular Weight187.17 g/mol
Exact Mass187.04
IUPAC Name2-fluoro-4-(furan-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccco2)cc1F
InChIInChI=1S/C11H6FNO/c12-10-6-8(3-4-9(10)7-13)11-2-1-5-14-11/h1-6H
InChIKeyMFRUMOBAHWKUCO-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

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Related Compounds

3-bromo-4-fluoro-2-(furan-2-yl)benzonitrile
CID 168525732
3-(furan-2-yl)benzonitrile
CID 4163731
2-(4-fluoro-3-methylphenyl)furan
CID 135296198
2-[4-(3,5-difluorophenyl)phenyl]furan
CID 168525624
2,3-difluoro-5-(furan-2-yl)phenol
CID 168525979
N-[2-fluoro-4-(furan-2-yl)phenyl]prop-2-enamide
CID 166408328
2-fluoro-4-[3-(hydroxymethyl)phenyl]benzonitrile
CID 118042438
2-fluoro-6-(furan-2-yl)benzonitrile
CID 114898559
bis[3-(furan-2-yl)phenyl]diazene
CID 10519323
4-[4-[7-[4-(4-cyano-3-fluorophenyl)phenyl]heptyl]phenyl]-2-fluorobenzonitrile
CID 168820275
4-(3,4-dimethoxyphenyl)-2-fluorobenzonitrile
CID 59689087
6-amino-2-(furan-2-yl)pyridine-3-carbonitrile
CID 91097691

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(furan-2-yl)benzonitrile?
The IUPAC name of 2-fluoro-4-(furan-2-yl)benzonitrile (CID 130938678) is 2-fluoro-4-(furan-2-yl)benzonitrile.
What is the SMILES notation for 2-fluoro-4-(furan-2-yl)benzonitrile?
The canonical SMILES for 2-fluoro-4-(furan-2-yl)benzonitrile is N#Cc1ccc(-c2ccco2)cc1F.
What is the InChIKey of 2-fluoro-4-(furan-2-yl)benzonitrile?
The InChIKey is MFRUMOBAHWKUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FNO/c12-10-6-8(3-4-9(10)7-13)11-2-1-5-14-11/h1-6H.
What are the key properties of 2-fluoro-4-(furan-2-yl)benzonitrile?
2-fluoro-4-(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-4-(furan-2-yl)benzonitrile is sourced from PubChem (CID 130938678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).