3-(3-chlorophenyl)-2-fluorobenzonitrile

C13H7ClFN — CID 154824751

IUPAC3-(3-chlorophenyl)-2-fluorobenzonitrile
SMILESN#Cc1cccc(-c2cccc(Cl)c2)c1F
InChIInChI=1S/C13H7ClFN/c14-11-5-1-3-9(7-11)12-6-2-4-10(8-16)13(12)15/h1-7H
InChIKeyFKWGLVCBCNKCPJ-UHFFFAOYSA-N
MW231.66 g/mol
LogP4.02
Rot. Bonds1

About 3-(3-chlorophenyl)-2-fluorobenzonitrile

3-(3-chlorophenyl)-2-fluorobenzonitrile (PubChem CID 154824751) has the molecular formula C13H7ClFN and a molecular weight of 231.66 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-fluorobenzonitrile.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-fluorobenzonitrile
PubChem CID154824751
Molecular FormulaC13H7ClFN
Molecular Weight231.66 g/mol
Exact Mass231.03
IUPAC Name3-(3-chlorophenyl)-2-fluorobenzonitrile
SMILESN#Cc1cccc(-c2cccc(Cl)c2)c1F
InChIInChI=1S/C13H7ClFN/c14-11-5-1-3-9(7-11)12-6-2-4-10(8-16)13(12)15/h1-7H
InChIKeyFKWGLVCBCNKCPJ-UHFFFAOYSA-N
XLogP4.02
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.66
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-fluorobenzonitrile?
The IUPAC name of 3-(3-chlorophenyl)-2-fluorobenzonitrile (CID 154824751) is 3-(3-chlorophenyl)-2-fluorobenzonitrile.
What is the SMILES notation for 3-(3-chlorophenyl)-2-fluorobenzonitrile?
The canonical SMILES for 3-(3-chlorophenyl)-2-fluorobenzonitrile is N#Cc1cccc(-c2cccc(Cl)c2)c1F.
What is the InChIKey of 3-(3-chlorophenyl)-2-fluorobenzonitrile?
The InChIKey is FKWGLVCBCNKCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFN/c14-11-5-1-3-9(7-11)12-6-2-4-10(8-16)13(12)15/h1-7H.
What are the key properties of 3-(3-chlorophenyl)-2-fluorobenzonitrile?
3-(3-chlorophenyl)-2-fluorobenzonitrile has a molecular weight of 231.66 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-fluorobenzonitrile is sourced from PubChem (CID 154824751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).