3-fluoro-5-(3-fluorophenyl)benzonitrile

C13H7F2N — CID 46312350

IUPAC3-fluoro-5-(3-fluorophenyl)benzonitrile
SMILESN#Cc1cc(F)cc(-c2cccc(F)c2)c1
InChIInChI=1S/C13H7F2N/c14-12-3-1-2-10(6-12)11-4-9(8-16)5-13(15)7-11/h1-7H
InChIKeyNIUCNCPAXHPJBM-UHFFFAOYSA-N
MW215.20 g/mol
LogP3.50
Rot. Bonds1

About 3-fluoro-5-(3-fluorophenyl)benzonitrile

3-fluoro-5-(3-fluorophenyl)benzonitrile (PubChem CID 46312350) has the molecular formula C13H7F2N and a molecular weight of 215.20 g/mol. Its IUPAC name is 3-fluoro-5-(3-fluorophenyl)benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-(3-fluorophenyl)benzonitrile
PubChem CID46312350
Molecular FormulaC13H7F2N
Molecular Weight215.20 g/mol
Exact Mass215.05
IUPAC Name3-fluoro-5-(3-fluorophenyl)benzonitrile
SMILESN#Cc1cc(F)cc(-c2cccc(F)c2)c1
InChIInChI=1S/C13H7F2N/c14-12-3-1-2-10(6-12)11-4-9(8-16)5-13(15)7-11/h1-7H
InChIKeyNIUCNCPAXHPJBM-UHFFFAOYSA-N
XLogP3.50
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(3-fluorophenyl)benzonitrile?
The IUPAC name of 3-fluoro-5-(3-fluorophenyl)benzonitrile (CID 46312350) is 3-fluoro-5-(3-fluorophenyl)benzonitrile.
What is the SMILES notation for 3-fluoro-5-(3-fluorophenyl)benzonitrile?
The canonical SMILES for 3-fluoro-5-(3-fluorophenyl)benzonitrile is N#Cc1cc(F)cc(-c2cccc(F)c2)c1.
What is the InChIKey of 3-fluoro-5-(3-fluorophenyl)benzonitrile?
The InChIKey is NIUCNCPAXHPJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2N/c14-12-3-1-2-10(6-12)11-4-9(8-16)5-13(15)7-11/h1-7H.
What are the key properties of 3-fluoro-5-(3-fluorophenyl)benzonitrile?
3-fluoro-5-(3-fluorophenyl)benzonitrile has a molecular weight of 215.20 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(3-fluorophenyl)benzonitrile is sourced from PubChem (CID 46312350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).