2-(1-fluorocyclohexyl)-2-hydroxyacetonitrile

C8H12FNO — CID 12728543

IUPAC2-(1-fluorocyclohexyl)-2-hydroxyacetonitrile
SMILESN#CC(O)C1(F)CCCCC1
InChIInChI=1S/C8H12FNO/c9-8(7(11)6-10)4-2-1-3-5-8/h7,11H,1-5H2
InChIKeyVKAWHRRVVVGDGO-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.54
Rot. Bonds1

About 2-(1-fluorocyclohexyl)-2-hydroxyacetonitrile

2-(1-fluorocyclohexyl)-2-hydroxyacetonitrile (PubChem CID 12728543) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is 2-(1-fluorocyclohexyl)-2-hydroxyacetonitrile.

Molecular Properties

Compound Name2-(1-fluorocyclohexyl)-2-hydroxyacetonitrile
PubChem CID12728543
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name2-(1-fluorocyclohexyl)-2-hydroxyacetonitrile
SMILESN#CC(O)C1(F)CCCCC1
InChIInChI=1S/C8H12FNO/c9-8(7(11)6-10)4-2-1-3-5-8/h7,11H,1-5H2
InChIKeyVKAWHRRVVVGDGO-UHFFFAOYSA-N
XLogP1.54
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-fluorocyclohexyl)-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

Related Compounds

2-(1-fluorocyclohexyl)-2-morpholin-4-ylacetonitrile
CID 46894278
deuterioethane;1,6-dioxaspiro[2.5]octane-2-carbonitrile;2-(4-fluorooxan-4-yl)-2-hydroxyacetonitrile
CID 160606240
2-hydroxy-2-(2-methylthiolan-2-yl)acetonitrile
CID 127002714
2-[1-(3,4-dichlorophenyl)cyclobutyl]-2-hydroxyacetonitrile
CID 19823670
1-(1-hydroxy-3,3-dimethylbutyl)cycloheptane-1-carbonitrile
CID 79132948
tert-butyl 2-[1-[cyano(hydroxy)methyl]cyclopentyl]acetate
CID 167708398
2-(1-hydroxycycloheptyl)butanenitrile
CID 79129702
1-hydroxycyclohexane-1-carbonitrile;methane
CID 164543008
(2S)-2-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2-hydroxyacetonitrile
CID 101092825
3-(1-fluorocyclohexyl)propanenitrile
CID 84763610
2-cyano-2-(1-methylcyclohexyl)acetic acid
CID 12673904
methyl 2-amino-2-(1-fluorocyclohexyl)acetate
CID 13204388

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorocyclohexyl)-2-hydroxyacetonitrile?
The IUPAC name of 2-(1-fluorocyclohexyl)-2-hydroxyacetonitrile (CID 12728543) is 2-(1-fluorocyclohexyl)-2-hydroxyacetonitrile.
What is the SMILES notation for 2-(1-fluorocyclohexyl)-2-hydroxyacetonitrile?
The canonical SMILES for 2-(1-fluorocyclohexyl)-2-hydroxyacetonitrile is N#CC(O)C1(F)CCCCC1.
What is the InChIKey of 2-(1-fluorocyclohexyl)-2-hydroxyacetonitrile?
The InChIKey is VKAWHRRVVVGDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO/c9-8(7(11)6-10)4-2-1-3-5-8/h7,11H,1-5H2.
What are the key properties of 2-(1-fluorocyclohexyl)-2-hydroxyacetonitrile?
2-(1-fluorocyclohexyl)-2-hydroxyacetonitrile has a molecular weight of 157.19 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorocyclohexyl)-2-hydroxyacetonitrile is sourced from PubChem (CID 12728543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).