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

C13H21F2NO2 — CID 106492476

IUPAC5-[[(2-ethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one
SMILESCCC1CCCCC1NCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C13H21F2NO2/c1-2-9-5-3-4-6-11(9)16-8-10-7-13(14,15)12(17)18-10/h9-11,16H,2-8H2,1H3
InChIKeyZCJAECYLGLEYKF-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.50
Rot. Bonds4

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

5-[[(2-ethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one (PubChem CID 106492476) has the molecular formula C13H21F2NO2 and a molecular weight of 261.31 g/mol. Its IUPAC name is 5-[[(2-ethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one.

Molecular Properties

Compound Name5-[[(2-ethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one
PubChem CID106492476
Molecular FormulaC13H21F2NO2
Molecular Weight261.31 g/mol
Exact Mass261.15
IUPAC Name5-[[(2-ethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one
SMILESCCC1CCCCC1NCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C13H21F2NO2/c1-2-9-5-3-4-6-11(9)16-8-10-7-13(14,15)12(17)18-10/h9-11,16H,2-8H2,1H3
InChIKeyZCJAECYLGLEYKF-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

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Related Compounds

3,3-difluoro-5-[[(3-methylcyclobutyl)amino]methyl]oxolan-2-one
CID 106492902
5-[(2,2-dimethylhydrazinyl)methyl]-3,3-difluorooxolan-2-one
CID 106492839
cis-(1R,2R)-2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine
CID 124710143
5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-3,3-difluorooxolan-2-one
CID 106492809
3-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 106492708
3-[2-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]ethyl]-1,1-dimethylurea
CID 106492848
3,3-difluoro-5-[(thiolan-2-ylmethylamino)methyl]oxolan-2-one
CID 106492758
5-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]pentanamide
CID 106237134
3,3-difluoro-5-[(2-methylprop-2-enylamino)methyl]oxolan-2-one
CID 106492972
5-[(4-bromo-5-fluoro-2-methylanilino)methyl]-3,3-difluorooxolan-2-one
CID 106492956
3,3-difluoro-5-[[(2-hydroxy-3-methylbutyl)amino]methyl]oxolan-2-one
CID 106492932
5-[(4-ethylsulfanylbutan-2-ylamino)methyl]-3,3-difluorooxolan-2-one
CID 106492953

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-ethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one?
The IUPAC name of 5-[[(2-ethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one (CID 106492476) is 5-[[(2-ethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one.
What is the SMILES notation for 5-[[(2-ethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one?
The canonical SMILES for 5-[[(2-ethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one is CCC1CCCCC1NCC1CC(F)(F)C(=O)O1.
What is the InChIKey of 5-[[(2-ethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one?
The InChIKey is ZCJAECYLGLEYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO2/c1-2-9-5-3-4-6-11(9)16-8-10-7-13(14,15)12(17)18-10/h9-11,16H,2-8H2,1H3.
What are the key properties of 5-[[(2-ethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one?
5-[[(2-ethylcyclohexyl)amino]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-[[(2-ethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one is sourced from PubChem (CID 106492476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).