2-(2-chloro-4,6-difluorophenyl)acetonitrile

C8H4ClF2N — CID 119020113

IUPAC2-(2-chloro-4,6-difluorophenyl)acetonitrile
SMILESN#CCc1c(F)cc(F)cc1Cl
InChIInChI=1S/C8H4ClF2N/c9-7-3-5(10)4-8(11)6(7)1-2-12/h3-4H,1H2
InChIKeyFZJUCALREDMFNM-UHFFFAOYSA-N
MW187.58 g/mol
LogP2.68
Rot. Bonds1

About 2-(2-chloro-4,6-difluorophenyl)acetonitrile

2-(2-chloro-4,6-difluorophenyl)acetonitrile (PubChem CID 119020113) has the molecular formula C8H4ClF2N and a molecular weight of 187.58 g/mol. Its IUPAC name is 2-(2-chloro-4,6-difluorophenyl)acetonitrile.

Molecular Properties

Compound Name2-(2-chloro-4,6-difluorophenyl)acetonitrile
PubChem CID119020113
Molecular FormulaC8H4ClF2N
Molecular Weight187.58 g/mol
Exact Mass187.00
IUPAC Name2-(2-chloro-4,6-difluorophenyl)acetonitrile
SMILESN#CCc1c(F)cc(F)cc1Cl
InChIInChI=1S/C8H4ClF2N/c9-7-3-5(10)4-8(11)6(7)1-2-12/h3-4H,1H2
InChIKeyFZJUCALREDMFNM-UHFFFAOYSA-N
XLogP2.68
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.58
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-difluoro-6-methoxyphenyl)acetonitrile
CID 84768896
2-(2,4-difluoro-6-nitrophenyl)acetonitrile
CID 119024673
2-(2,6-dichloro-4-methylphenyl)acetonitrile
CID 119013215
4-(cyanomethyl)-3,5-difluorobenzonitrile
CID 118821709
2-(3-chloro-2,6-difluorophenyl)acetonitrile
CID 2773576
3-(2-chloro-4,6-difluoroanilino)propanenitrile
CID 83081189
2-(2-chloro-3-fluoro-6-iodophenyl)acetonitrile
CID 171004778
2-(2-chloro-5-fluoro-4-iodophenyl)acetonitrile
CID 171005051
2-(3-chloro-6-fluoro-2-iodophenyl)acetonitrile
CID 171004728
2-(2,5-dichloro-4-fluorophenyl)acetonitrile
CID 84777673
2-(2,4-dichloro-5-fluorophenyl)acetonitrile
CID 2774021
2-(2,6-difluoro-4-methoxyphenyl)acetonitrile
CID 3869500

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4,6-difluorophenyl)acetonitrile?
The IUPAC name of 2-(2-chloro-4,6-difluorophenyl)acetonitrile (CID 119020113) is 2-(2-chloro-4,6-difluorophenyl)acetonitrile.
What is the SMILES notation for 2-(2-chloro-4,6-difluorophenyl)acetonitrile?
The canonical SMILES for 2-(2-chloro-4,6-difluorophenyl)acetonitrile is N#CCc1c(F)cc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4,6-difluorophenyl)acetonitrile?
The InChIKey is FZJUCALREDMFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF2N/c9-7-3-5(10)4-8(11)6(7)1-2-12/h3-4H,1H2.
What are the key properties of 2-(2-chloro-4,6-difluorophenyl)acetonitrile?
2-(2-chloro-4,6-difluorophenyl)acetonitrile has a molecular weight of 187.58 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4,6-difluorophenyl)acetonitrile is sourced from PubChem (CID 119020113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).