2-(1-fluorocyclohexyl)-2-morpholin-4-ylacetonitrile

C12H19FN2O — CID 46894278

IUPAC2-(1-fluorocyclohexyl)-2-morpholin-4-ylacetonitrile
SMILESN#CC(N1CCOCC1)C1(F)CCCCC1
InChIInChI=1S/C12H19FN2O/c13-12(4-2-1-3-5-12)11(10-14)15-6-8-16-9-7-15/h11H,1-9H2
InChIKeyOULIQSZSPAQYPO-UHFFFAOYSA-N
MW226.29 g/mol
LogP1.88
Rot. Bonds2

About 2-(1-fluorocyclohexyl)-2-morpholin-4-ylacetonitrile

2-(1-fluorocyclohexyl)-2-morpholin-4-ylacetonitrile (PubChem CID 46894278) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 2-(1-fluorocyclohexyl)-2-morpholin-4-ylacetonitrile.

Molecular Properties

Compound Name2-(1-fluorocyclohexyl)-2-morpholin-4-ylacetonitrile
PubChem CID46894278
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name2-(1-fluorocyclohexyl)-2-morpholin-4-ylacetonitrile
SMILESN#CC(N1CCOCC1)C1(F)CCCCC1
InChIInChI=1S/C12H19FN2O/c13-12(4-2-1-3-5-12)11(10-14)15-6-8-16-9-7-15/h11H,1-9H2
InChIKeyOULIQSZSPAQYPO-UHFFFAOYSA-N
XLogP1.88
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-fluorocyclohexyl)-2-morpholin-4-ylacetonitrile 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-morpholin-4-ylacetonitrile?
The IUPAC name of 2-(1-fluorocyclohexyl)-2-morpholin-4-ylacetonitrile (CID 46894278) is 2-(1-fluorocyclohexyl)-2-morpholin-4-ylacetonitrile.
What is the SMILES notation for 2-(1-fluorocyclohexyl)-2-morpholin-4-ylacetonitrile?
The canonical SMILES for 2-(1-fluorocyclohexyl)-2-morpholin-4-ylacetonitrile is N#CC(N1CCOCC1)C1(F)CCCCC1.
What is the InChIKey of 2-(1-fluorocyclohexyl)-2-morpholin-4-ylacetonitrile?
The InChIKey is OULIQSZSPAQYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c13-12(4-2-1-3-5-12)11(10-14)15-6-8-16-9-7-15/h11H,1-9H2.
What are the key properties of 2-(1-fluorocyclohexyl)-2-morpholin-4-ylacetonitrile?
2-(1-fluorocyclohexyl)-2-morpholin-4-ylacetonitrile has a molecular weight of 226.29 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorocyclohexyl)-2-morpholin-4-ylacetonitrile is sourced from PubChem (CID 46894278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).