(2R)-2-(4-fluorophenyl)-2-hydroxyacetonitrile

C8H6FNO — CID 11275111

IUPAC(2R)-2-(4-fluorophenyl)-2-hydroxyacetonitrile
SMILESN#C[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C8H6FNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H/t8-/m0/s1
InChIKeyUWDPUVCVIQXYQR-QMMMGPOBSA-N
MW151.14 g/mol
LogP1.38
Rot. Bonds1

About (2R)-2-(4-fluorophenyl)-2-hydroxyacetonitrile

(2R)-2-(4-fluorophenyl)-2-hydroxyacetonitrile (PubChem CID 11275111) has the molecular formula C8H6FNO and a molecular weight of 151.14 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-2-hydroxyacetonitrile.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-2-hydroxyacetonitrile
PubChem CID11275111
Molecular FormulaC8H6FNO
Molecular Weight151.14 g/mol
Exact Mass151.04
IUPAC Name(2R)-2-(4-fluorophenyl)-2-hydroxyacetonitrile
SMILESN#C[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C8H6FNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H/t8-/m0/s1
InChIKeyUWDPUVCVIQXYQR-QMMMGPOBSA-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'}

Analyze (2R)-2-(4-fluorophenyl)-2-hydroxyacetonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-2-hydroxyacetonitrile?
The IUPAC name of (2R)-2-(4-fluorophenyl)-2-hydroxyacetonitrile (CID 11275111) is (2R)-2-(4-fluorophenyl)-2-hydroxyacetonitrile.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-2-hydroxyacetonitrile?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-2-hydroxyacetonitrile is N#C[C@H](O)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-2-hydroxyacetonitrile?
The InChIKey is UWDPUVCVIQXYQR-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H6FNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H/t8-/m0/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-2-hydroxyacetonitrile?
(2R)-2-(4-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 (2R)-2-(4-fluorophenyl)-2-hydroxyacetonitrile is sourced from PubChem (CID 11275111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).