2-(3,4-difluoro-2-hydroxyphenyl)propanenitrile

C9H7F2NO — CID 84768882

IUPAC2-(3,4-difluoro-2-hydroxyphenyl)propanenitrile
SMILESCC(C#N)c1ccc(F)c(F)c1O
InChIInChI=1S/C9H7F2NO/c1-5(4-12)6-2-3-7(10)8(11)9(6)13/h2-3,5,13H,1H3
InChIKeyFLKGQNPTUHHIEJ-UHFFFAOYSA-N
MW183.16 g/mol
LogP2.30
Rot. Bonds1

About 2-(3,4-difluoro-2-hydroxyphenyl)propanenitrile

2-(3,4-difluoro-2-hydroxyphenyl)propanenitrile (PubChem CID 84768882) has the molecular formula C9H7F2NO and a molecular weight of 183.16 g/mol. Its IUPAC name is 2-(3,4-difluoro-2-hydroxyphenyl)propanenitrile.

Molecular Properties

Compound Name2-(3,4-difluoro-2-hydroxyphenyl)propanenitrile
PubChem CID84768882
Molecular FormulaC9H7F2NO
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name2-(3,4-difluoro-2-hydroxyphenyl)propanenitrile
SMILESCC(C#N)c1ccc(F)c(F)c1O
InChIInChI=1S/C9H7F2NO/c1-5(4-12)6-2-3-7(10)8(11)9(6)13/h2-3,5,13H,1H3
InChIKeyFLKGQNPTUHHIEJ-UHFFFAOYSA-N
XLogP2.30
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-difluoro-2-hydroxyphenyl)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3,4-trifluorophenyl)propanenitrile
CID 117046772
2-(3-fluoro-2-hydroxyphenyl)propanenitrile
CID 130135005
6-[(1S)-1-aminoethyl]-2,3-difluorophenol;hydrochloride
CID 171253098
2-(2,3-dihydroxyphenyl)propanenitrile
CID 131537955
6-[(1S,2R)-1-amino-2-hydroxypropyl]-2,3-difluorophenol
CID 130747229
2-(4-chloro-2-hydroxy-3-methylphenyl)propanenitrile
CID 130135122
6-[(1S)-1-amino-2,2-difluoroethyl]-2,3-difluorophenol
CID 130817233
6-[(1R)-1-amino-3-methylbutyl]-2,3-difluorophenol;hydrochloride
CID 171256473
2-(3-bromo-2-hydroxy-4-methoxyphenyl)propanenitrile
CID 84805082
2,3-difluoro-6-propan-2-ylbenzonitrile
CID 59589200
2-(4-fluoro-2-methylphenyl)propanenitrile
CID 130135001
(3,4-difluoro-2-hydroxyphenyl)azanium;ethane
CID 171811093

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoro-2-hydroxyphenyl)propanenitrile?
The IUPAC name of 2-(3,4-difluoro-2-hydroxyphenyl)propanenitrile (CID 84768882) is 2-(3,4-difluoro-2-hydroxyphenyl)propanenitrile.
What is the SMILES notation for 2-(3,4-difluoro-2-hydroxyphenyl)propanenitrile?
The canonical SMILES for 2-(3,4-difluoro-2-hydroxyphenyl)propanenitrile is CC(C#N)c1ccc(F)c(F)c1O.
What is the InChIKey of 2-(3,4-difluoro-2-hydroxyphenyl)propanenitrile?
The InChIKey is FLKGQNPTUHHIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO/c1-5(4-12)6-2-3-7(10)8(11)9(6)13/h2-3,5,13H,1H3.
What are the key properties of 2-(3,4-difluoro-2-hydroxyphenyl)propanenitrile?
2-(3,4-difluoro-2-hydroxyphenyl)propanenitrile has a molecular weight of 183.16 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoro-2-hydroxyphenyl)propanenitrile is sourced from PubChem (CID 84768882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).