5-[(1-cyclohexylethylamino)methyl]-3,3-difluorooxolan-2-one

C13H21F2NO2 — CID 106492578

IUPAC5-[(1-cyclohexylethylamino)methyl]-3,3-difluorooxolan-2-one
SMILESCC(NCC1CC(F)(F)C(=O)O1)C1CCCCC1
InChIInChI=1S/C13H21F2NO2/c1-9(10-5-3-2-4-6-10)16-8-11-7-13(14,15)12(17)18-11/h9-11,16H,2-8H2,1H3
InChIKeyZQBSMUZCIRFSTH-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.50
Rot. Bonds4

About 5-[(1-cyclohexylethylamino)methyl]-3,3-difluorooxolan-2-one

5-[(1-cyclohexylethylamino)methyl]-3,3-difluorooxolan-2-one (PubChem CID 106492578) has the molecular formula C13H21F2NO2 and a molecular weight of 261.31 g/mol. Its IUPAC name is 5-[(1-cyclohexylethylamino)methyl]-3,3-difluorooxolan-2-one.

Molecular Properties

Compound Name5-[(1-cyclohexylethylamino)methyl]-3,3-difluorooxolan-2-one
PubChem CID106492578
Molecular FormulaC13H21F2NO2
Molecular Weight261.31 g/mol
Exact Mass261.15
IUPAC Name5-[(1-cyclohexylethylamino)methyl]-3,3-difluorooxolan-2-one
SMILESCC(NCC1CC(F)(F)C(=O)O1)C1CCCCC1
InChIInChI=1S/C13H21F2NO2/c1-9(10-5-3-2-4-6-10)16-8-11-7-13(14,15)12(17)18-11/h9-11,16H,2-8H2,1H3
InChIKeyZQBSMUZCIRFSTH-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(1-cyclohexylethylamino)methyl]-3,3-difluorooxolan-2-one 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 5-[(1-cyclohexylethylamino)methyl]-3,3-difluorooxolan-2-one?
The IUPAC name of 5-[(1-cyclohexylethylamino)methyl]-3,3-difluorooxolan-2-one (CID 106492578) is 5-[(1-cyclohexylethylamino)methyl]-3,3-difluorooxolan-2-one.
What is the SMILES notation for 5-[(1-cyclohexylethylamino)methyl]-3,3-difluorooxolan-2-one?
The canonical SMILES for 5-[(1-cyclohexylethylamino)methyl]-3,3-difluorooxolan-2-one is CC(NCC1CC(F)(F)C(=O)O1)C1CCCCC1.
What is the InChIKey of 5-[(1-cyclohexylethylamino)methyl]-3,3-difluorooxolan-2-one?
The InChIKey is ZQBSMUZCIRFSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO2/c1-9(10-5-3-2-4-6-10)16-8-11-7-13(14,15)12(17)18-11/h9-11,16H,2-8H2,1H3.
What are the key properties of 5-[(1-cyclohexylethylamino)methyl]-3,3-difluorooxolan-2-one?
5-[(1-cyclohexylethylamino)methyl]-3,3-difluorooxolan-2-one has a molecular weight of 261.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclohexylethylamino)methyl]-3,3-difluorooxolan-2-one is sourced from PubChem (CID 106492578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).