2-(3-fluorophenyl)-2-hydroxyacetonitrile

C8H6FNO — CID 18364031

IUPAC2-(3-fluorophenyl)-2-hydroxyacetonitrile
SMILESN#CC(O)c1cccc(F)c1
InChIInChI=1S/C8H6FNO/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,8,11H
InChIKeyPIUFDVZAZWZBCK-UHFFFAOYSA-N
MW151.14 g/mol
LogP1.38
Rot. Bonds1

About 2-(3-fluorophenyl)-2-hydroxyacetonitrile

2-(3-fluorophenyl)-2-hydroxyacetonitrile (PubChem CID 18364031) has the molecular formula C8H6FNO and a molecular weight of 151.14 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-hydroxyacetonitrile.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-hydroxyacetonitrile
PubChem CID18364031
Molecular FormulaC8H6FNO
Molecular Weight151.14 g/mol
Exact Mass151.04
IUPAC Name2-(3-fluorophenyl)-2-hydroxyacetonitrile
SMILESN#CC(O)c1cccc(F)c1
InChIInChI=1S/C8H6FNO/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,8,11H
InChIKeyPIUFDVZAZWZBCK-UHFFFAOYSA-N
XLogP1.38
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-hydroxy-2-(3-methylphenyl)acetonitrile
CID 12717592
(2S)-2-hydroxy-2-(3-propan-2-ylphenyl)acetonitrile
CID 98086839
2-[(3-fluorophenyl)-hydroxymethyl]prop-2-enenitrile
CID 43186365
[(R)-cyano-(3-fluorophenyl)methyl] acetate
CID 14451527
(1R,2R)-1-fluoro-1-(3-fluorophenyl)propan-2-ol
CID 122372146
2-(3-fluorophenyl)-3-oxohexanenitrile
CID 43157077
2-[[(1S)-1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]acetonitrile
CID 97334665
2-[amino-(3-fluorophenyl)methyl]butanenitrile
CID 116946249
1-[3-(3-fluorophenoxy)phenyl]prop-2-yn-1-ol
CID 54301986
3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methylpropanenitrile
CID 81365817
2-[[cyano-(3-fluorophenyl)methyl]-methylamino]acetic acid
CID 84757516
4-cyano-3-(3-fluorophenyl)-4-(4-fluorophenyl)butanoic acid
CID 14838746

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-hydroxyacetonitrile?
The IUPAC name of 2-(3-fluorophenyl)-2-hydroxyacetonitrile (CID 18364031) is 2-(3-fluorophenyl)-2-hydroxyacetonitrile.
What is the SMILES notation for 2-(3-fluorophenyl)-2-hydroxyacetonitrile?
The canonical SMILES for 2-(3-fluorophenyl)-2-hydroxyacetonitrile is N#CC(O)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-2-hydroxyacetonitrile?
The InChIKey is PIUFDVZAZWZBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,8,11H.
What are the key properties of 2-(3-fluorophenyl)-2-hydroxyacetonitrile?
2-(3-fluorophenyl)-2-hydroxyacetonitrile has a molecular weight of 151.14 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-hydroxyacetonitrile is sourced from PubChem (CID 18364031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).