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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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).