2-(2,4-difluoro-6-methoxyphenyl)acetonitrile

C9H7F2NO — CID 84768896

IUPAC2-(2,4-difluoro-6-methoxyphenyl)acetonitrile
SMILESCOc1cc(F)cc(F)c1CC#N
InChIInChI=1S/C9H7F2NO/c1-13-9-5-6(10)4-8(11)7(9)2-3-12/h4-5H,2H2,1H3
InChIKeyAHWOVEULPLOXFM-UHFFFAOYSA-N
MW183.16 g/mol
LogP2.04
Rot. Bonds2

About 2-(2,4-difluoro-6-methoxyphenyl)acetonitrile

2-(2,4-difluoro-6-methoxyphenyl)acetonitrile (PubChem CID 84768896) has the molecular formula C9H7F2NO and a molecular weight of 183.16 g/mol. Its IUPAC name is 2-(2,4-difluoro-6-methoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(2,4-difluoro-6-methoxyphenyl)acetonitrile
PubChem CID84768896
Molecular FormulaC9H7F2NO
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name2-(2,4-difluoro-6-methoxyphenyl)acetonitrile
SMILESCOc1cc(F)cc(F)c1CC#N
InChIInChI=1S/C9H7F2NO/c1-13-9-5-6(10)4-8(11)7(9)2-3-12/h4-5H,2H2,1H3
InChIKeyAHWOVEULPLOXFM-UHFFFAOYSA-N
XLogP2.04
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-difluoro-4-methoxyphenyl)acetonitrile
CID 3869500
2-(bromomethyl)-1,5-difluoro-3-methoxybenzene
CID 130786949
2-(4-iodo-2,6-dimethoxyphenyl)acetonitrile
CID 119002608
3-(2,4-difluoro-6-methoxyphenyl)propan-1-amine
CID 84776163
2-(2-chloro-4,6-difluorophenyl)acetonitrile
CID 119020113
O-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]hydroxylamine
CID 117291281
2-(4-ethoxy-2,6-difluorophenyl)acetonitrile
CID 46737617
2-(2-chloro-3-fluoro-6-methoxyphenyl)acetonitrile
CID 130889587
2-(4-bromo-5-fluoro-2-methoxyphenyl)acetonitrile
CID 84802364
2-(2,4-dimethoxy-6-methylphenyl)acetonitrile
CID 42638625
2-(5-fluoro-2-methoxy-3-methylphenyl)acetonitrile
CID 84767808
2-(2-bromo-6-methoxy-4-methylphenyl)acetonitrile
CID 84800310

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoro-6-methoxyphenyl)acetonitrile?
The IUPAC name of 2-(2,4-difluoro-6-methoxyphenyl)acetonitrile (CID 84768896) is 2-(2,4-difluoro-6-methoxyphenyl)acetonitrile.
What is the SMILES notation for 2-(2,4-difluoro-6-methoxyphenyl)acetonitrile?
The canonical SMILES for 2-(2,4-difluoro-6-methoxyphenyl)acetonitrile is COc1cc(F)cc(F)c1CC#N.
What is the InChIKey of 2-(2,4-difluoro-6-methoxyphenyl)acetonitrile?
The InChIKey is AHWOVEULPLOXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO/c1-13-9-5-6(10)4-8(11)7(9)2-3-12/h4-5H,2H2,1H3.
What are the key properties of 2-(2,4-difluoro-6-methoxyphenyl)acetonitrile?
2-(2,4-difluoro-6-methoxyphenyl)acetonitrile has a molecular weight of 183.16 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoro-6-methoxyphenyl)acetonitrile is sourced from PubChem (CID 84768896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).