5-[[(2,3-dimethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one

C13H21F2NO2 — CID 106492321

IUPAC5-[[(2,3-dimethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one
SMILESCC1CCCC(NCC2CC(F)(F)C(=O)O2)C1C
InChIInChI=1S/C13H21F2NO2/c1-8-4-3-5-11(9(8)2)16-7-10-6-13(14,15)12(17)18-10/h8-11,16H,3-7H2,1-2H3
InChIKeyBMMKZMMNCAWIHM-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.35
Rot. Bonds3

About 5-[[(2,3-dimethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one

5-[[(2,3-dimethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one (PubChem CID 106492321) has the molecular formula C13H21F2NO2 and a molecular weight of 261.31 g/mol. Its IUPAC name is 5-[[(2,3-dimethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one.

Molecular Properties

Compound Name5-[[(2,3-dimethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one
PubChem CID106492321
Molecular FormulaC13H21F2NO2
Molecular Weight261.31 g/mol
Exact Mass261.15
IUPAC Name5-[[(2,3-dimethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one
SMILESCC1CCCC(NCC2CC(F)(F)C(=O)O2)C1C
InChIInChI=1S/C13H21F2NO2/c1-8-4-3-5-11(9(8)2)16-7-10-6-13(14,15)12(17)18-10/h8-11,16H,3-7H2,1-2H3
InChIKeyBMMKZMMNCAWIHM-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[[(2,3-dimethylcyclohexyl)amino]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-[[(2,3-dimethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one?
The IUPAC name of 5-[[(2,3-dimethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one (CID 106492321) is 5-[[(2,3-dimethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one.
What is the SMILES notation for 5-[[(2,3-dimethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one?
The canonical SMILES for 5-[[(2,3-dimethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one is CC1CCCC(NCC2CC(F)(F)C(=O)O2)C1C.
What is the InChIKey of 5-[[(2,3-dimethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one?
The InChIKey is BMMKZMMNCAWIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO2/c1-8-4-3-5-11(9(8)2)16-7-10-6-13(14,15)12(17)18-10/h8-11,16H,3-7H2,1-2H3.
What are the key properties of 5-[[(2,3-dimethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one?
5-[[(2,3-dimethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one has a molecular weight of 261.31 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2,3-dimethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one is sourced from PubChem (CID 106492321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).