2-(1-fluorocyclohexyl)-2-hydroxypropanedinitrile

C9H11FN2O — CID 10726103

IUPAC2-(1-fluorocyclohexyl)-2-hydroxypropanedinitrile
SMILESN#CC(O)(C#N)C1(F)CCCCC1
InChIInChI=1S/C9H11FN2O/c10-8(4-2-1-3-5-8)9(13,6-11)7-12/h13H,1-5H2
InChIKeySHZQZDANCUQBRS-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.44
Rot. Bonds1

About 2-(1-fluorocyclohexyl)-2-hydroxypropanedinitrile

2-(1-fluorocyclohexyl)-2-hydroxypropanedinitrile (PubChem CID 10726103) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 2-(1-fluorocyclohexyl)-2-hydroxypropanedinitrile.

Molecular Properties

Compound Name2-(1-fluorocyclohexyl)-2-hydroxypropanedinitrile
PubChem CID10726103
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name2-(1-fluorocyclohexyl)-2-hydroxypropanedinitrile
SMILESN#CC(O)(C#N)C1(F)CCCCC1
InChIInChI=1S/C9H11FN2O/c10-8(4-2-1-3-5-8)9(13,6-11)7-12/h13H,1-5H2
InChIKeySHZQZDANCUQBRS-UHFFFAOYSA-N
XLogP1.44
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-fluorocyclohexyl)-2-hydroxypropanedinitrile 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 2-(1-fluorocyclohexyl)-2-hydroxypropanedinitrile?
The IUPAC name of 2-(1-fluorocyclohexyl)-2-hydroxypropanedinitrile (CID 10726103) is 2-(1-fluorocyclohexyl)-2-hydroxypropanedinitrile.
What is the SMILES notation for 2-(1-fluorocyclohexyl)-2-hydroxypropanedinitrile?
The canonical SMILES for 2-(1-fluorocyclohexyl)-2-hydroxypropanedinitrile is N#CC(O)(C#N)C1(F)CCCCC1.
What is the InChIKey of 2-(1-fluorocyclohexyl)-2-hydroxypropanedinitrile?
The InChIKey is SHZQZDANCUQBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c10-8(4-2-1-3-5-8)9(13,6-11)7-12/h13H,1-5H2.
What are the key properties of 2-(1-fluorocyclohexyl)-2-hydroxypropanedinitrile?
2-(1-fluorocyclohexyl)-2-hydroxypropanedinitrile has a molecular weight of 182.20 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorocyclohexyl)-2-hydroxypropanedinitrile is sourced from PubChem (CID 10726103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).