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

C9H8FNO — CID 131606676

IUPAC3-fluoro-2-(3-hydroxyphenyl)propanenitrile
SMILESN#CC(CF)c1cccc(O)c1
InChIInChI=1S/C9H8FNO/c10-5-8(6-11)7-2-1-3-9(12)4-7/h1-4,8,12H,5H2
InChIKeyYYYLSZOMPXFTBW-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.97
Rot. Bonds2

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

3-fluoro-2-(3-hydroxyphenyl)propanenitrile (PubChem CID 131606676) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 3-fluoro-2-(3-hydroxyphenyl)propanenitrile.

Molecular Properties

Compound Name3-fluoro-2-(3-hydroxyphenyl)propanenitrile
PubChem CID131606676
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name3-fluoro-2-(3-hydroxyphenyl)propanenitrile
SMILESN#CC(CF)c1cccc(O)c1
InChIInChI=1S/C9H8FNO/c10-5-8(6-11)7-2-1-3-9(12)4-7/h1-4,8,12H,5H2
InChIKeyYYYLSZOMPXFTBW-UHFFFAOYSA-N
XLogP1.97
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-hydroxyphenyl)butanenitrile
CID 77440133
(3R)-3-amino-3-(3-hydroxyphenyl)propanenitrile;hydrochloride
CID 171260279
2,3-dihydroxy-3-(3-hydroxyphenyl)propanenitrile
CID 171869668
3-(1-amino-2-fluoroethyl)phenol
CID 83815443
2-(diethylamino)-2-(3-hydroxyphenyl)acetonitrile
CID 43802702
3-[1-(3-hydroxyphenyl)ethylamino]pentanenitrile
CID 62647469
2-[1-(3-hydroxyphenyl)-2,2-dimethylpropyl]propanedinitrile
CID 10680869
2-[[cyano-(3-hydroxyphenyl)methyl]amino]acetic acid
CID 84816456
2-[2-hydroxyethyl(methyl)amino]-2-(3-hydroxyphenyl)acetonitrile
CID 84757581
2-anilino-2-(3-hydroxyphenyl)acetonitrile
CID 2771792
2-(2-azidoethylamino)-2-(3-hydroxyphenyl)acetonitrile
CID 66188798
2-(butylamino)-2-(3-hydroxyphenyl)acetonitrile
CID 84816576

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(3-hydroxyphenyl)propanenitrile?
The IUPAC name of 3-fluoro-2-(3-hydroxyphenyl)propanenitrile (CID 131606676) is 3-fluoro-2-(3-hydroxyphenyl)propanenitrile.
What is the SMILES notation for 3-fluoro-2-(3-hydroxyphenyl)propanenitrile?
The canonical SMILES for 3-fluoro-2-(3-hydroxyphenyl)propanenitrile is N#CC(CF)c1cccc(O)c1.
What is the InChIKey of 3-fluoro-2-(3-hydroxyphenyl)propanenitrile?
The InChIKey is YYYLSZOMPXFTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c10-5-8(6-11)7-2-1-3-9(12)4-7/h1-4,8,12H,5H2.
What are the key properties of 3-fluoro-2-(3-hydroxyphenyl)propanenitrile?
3-fluoro-2-(3-hydroxyphenyl)propanenitrile has a molecular weight of 165.17 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(3-hydroxyphenyl)propanenitrile is sourced from PubChem (CID 131606676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).