5-(3-fluorophenyl)furan-2-carbonitrile

C11H6FNO — CID 19840641

IUPAC5-(3-fluorophenyl)furan-2-carbonitrile
SMILESN#Cc1ccc(-c2cccc(F)c2)o1
InChIInChI=1S/C11H6FNO/c12-9-3-1-2-8(6-9)11-5-4-10(7-13)14-11/h1-6H
InChIKeyGEEDUFXJLZOJKM-UHFFFAOYSA-N
MW187.17 g/mol
LogP2.96
Rot. Bonds1

About 5-(3-fluorophenyl)furan-2-carbonitrile

5-(3-fluorophenyl)furan-2-carbonitrile (PubChem CID 19840641) has the molecular formula C11H6FNO and a molecular weight of 187.17 g/mol. Its IUPAC name is 5-(3-fluorophenyl)furan-2-carbonitrile.

Molecular Properties

Compound Name5-(3-fluorophenyl)furan-2-carbonitrile
PubChem CID19840641
Molecular FormulaC11H6FNO
Molecular Weight187.17 g/mol
Exact Mass187.04
IUPAC Name5-(3-fluorophenyl)furan-2-carbonitrile
SMILESN#Cc1ccc(-c2cccc(F)c2)o1
InChIInChI=1S/C11H6FNO/c12-9-3-1-2-8(6-9)11-5-4-10(7-13)14-11/h1-6H
InChIKeyGEEDUFXJLZOJKM-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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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)furan-2-carbonitrile?
The IUPAC name of 5-(3-fluorophenyl)furan-2-carbonitrile (CID 19840641) is 5-(3-fluorophenyl)furan-2-carbonitrile.
What is the SMILES notation for 5-(3-fluorophenyl)furan-2-carbonitrile?
The canonical SMILES for 5-(3-fluorophenyl)furan-2-carbonitrile is N#Cc1ccc(-c2cccc(F)c2)o1.
What is the InChIKey of 5-(3-fluorophenyl)furan-2-carbonitrile?
The InChIKey is GEEDUFXJLZOJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FNO/c12-9-3-1-2-8(6-9)11-5-4-10(7-13)14-11/h1-6H.
What are the key properties of 5-(3-fluorophenyl)furan-2-carbonitrile?
5-(3-fluorophenyl)furan-2-carbonitrile 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 5-(3-fluorophenyl)furan-2-carbonitrile is sourced from PubChem (CID 19840641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).