2-(2-chloro-6-fluorophenyl)propanenitrile

C9H7ClFN — CID 55265750

IUPAC2-(2-chloro-6-fluorophenyl)propanenitrile
SMILESCC(C#N)c1c(F)cccc1Cl
InChIInChI=1S/C9H7ClFN/c1-6(5-12)9-7(10)3-2-4-8(9)11/h2-4,6H,1H3
InChIKeyGZLFKFMUFBDBOG-UHFFFAOYSA-N
MW183.61 g/mol
LogP3.11
Rot. Bonds1

About 2-(2-chloro-6-fluorophenyl)propanenitrile

2-(2-chloro-6-fluorophenyl)propanenitrile (PubChem CID 55265750) has the molecular formula C9H7ClFN and a molecular weight of 183.61 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)propanenitrile.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)propanenitrile
PubChem CID55265750
Molecular FormulaC9H7ClFN
Molecular Weight183.61 g/mol
Exact Mass183.03
IUPAC Name2-(2-chloro-6-fluorophenyl)propanenitrile
SMILESCC(C#N)c1c(F)cccc1Cl
InChIInChI=1S/C9H7ClFN/c1-6(5-12)9-7(10)3-2-4-8(9)11/h2-4,6H,1H3
InChIKeyGZLFKFMUFBDBOG-UHFFFAOYSA-N
XLogP3.11
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.61
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)propanenitrile?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)propanenitrile (CID 55265750) is 2-(2-chloro-6-fluorophenyl)propanenitrile.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)propanenitrile?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)propanenitrile is CC(C#N)c1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)propanenitrile?
The InChIKey is GZLFKFMUFBDBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN/c1-6(5-12)9-7(10)3-2-4-8(9)11/h2-4,6H,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)propanenitrile?
2-(2-chloro-6-fluorophenyl)propanenitrile has a molecular weight of 183.61 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)propanenitrile is sourced from PubChem (CID 55265750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).