2-(3-fluoro-2-hydroxyphenyl)propanenitrile

C9H8FNO — CID 130135005

IUPAC2-(3-fluoro-2-hydroxyphenyl)propanenitrile
SMILESCC(C#N)c1cccc(F)c1O
InChIInChI=1S/C9H8FNO/c1-6(5-11)7-3-2-4-8(10)9(7)12/h2-4,6,12H,1H3
InChIKeyGIIJJEWMXXZIPM-UHFFFAOYSA-N
MW165.17 g/mol
LogP2.16
Rot. Bonds1

About 2-(3-fluoro-2-hydroxyphenyl)propanenitrile

2-(3-fluoro-2-hydroxyphenyl)propanenitrile (PubChem CID 130135005) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 2-(3-fluoro-2-hydroxyphenyl)propanenitrile.

Molecular Properties

Compound Name2-(3-fluoro-2-hydroxyphenyl)propanenitrile
PubChem CID130135005
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name2-(3-fluoro-2-hydroxyphenyl)propanenitrile
SMILESCC(C#N)c1cccc(F)c1O
InChIInChI=1S/C9H8FNO/c1-6(5-11)7-3-2-4-8(10)9(7)12/h2-4,6,12H,1H3
InChIKeyGIIJJEWMXXZIPM-UHFFFAOYSA-N
XLogP2.16
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydroxyphenyl)propanenitrile
CID 131537955
2-(3,4-difluoro-2-hydroxyphenyl)propanenitrile
CID 84768882
2-(1-cyanoethyl)-6-fluorobenzoic acid
CID 130135096
2-(1-amino-2-methylpropyl)-6-fluorophenol
CID 55294236
2-[2-(1-hydroxyethyl)phenyl]propanenitrile
CID 19377147
2-(2,3,4-trifluorophenyl)propanenitrile
CID 117046772
2-(2-amino-6-fluorophenyl)propanenitrile
CID 130135319
2-(4-chloro-2-hydroxy-3-methylphenyl)propanenitrile
CID 130135122
2-fluoro-6-propan-2-ylbenzonitrile
CID 59589078
2-(2,3-diaminophenyl)propanenitrile
CID 23459353
2-(2,3-dichlorophenyl)propanenitrile
CID 69268424
2-[2-(1-cyanoethyl)-3-methylphenyl]propanenitrile
CID 67685054

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-hydroxyphenyl)propanenitrile?
The IUPAC name of 2-(3-fluoro-2-hydroxyphenyl)propanenitrile (CID 130135005) is 2-(3-fluoro-2-hydroxyphenyl)propanenitrile.
What is the SMILES notation for 2-(3-fluoro-2-hydroxyphenyl)propanenitrile?
The canonical SMILES for 2-(3-fluoro-2-hydroxyphenyl)propanenitrile is CC(C#N)c1cccc(F)c1O.
What is the InChIKey of 2-(3-fluoro-2-hydroxyphenyl)propanenitrile?
The InChIKey is GIIJJEWMXXZIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c1-6(5-11)7-3-2-4-8(10)9(7)12/h2-4,6,12H,1H3.
What are the key properties of 2-(3-fluoro-2-hydroxyphenyl)propanenitrile?
2-(3-fluoro-2-hydroxyphenyl)propanenitrile has a molecular weight of 165.17 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-hydroxyphenyl)propanenitrile is sourced from PubChem (CID 130135005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).