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

C12H21F2NO3 — CID 106285508

IUPAC5-[[(3-ethyl-2-hydroxypentyl)amino]methyl]-3,3-difluorooxolan-2-one
SMILESCCC(CC)C(O)CNCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C12H21F2NO3/c1-3-8(4-2)10(16)7-15-6-9-5-12(13,14)11(17)18-9/h8-10,15-16H,3-7H2,1-2H3
InChIKeyMTXYXNXFMOAIRM-UHFFFAOYSA-N
MW265.30 g/mol
LogP1.32
Rot. Bonds7

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

5-[[(3-ethyl-2-hydroxypentyl)amino]methyl]-3,3-difluorooxolan-2-one (PubChem CID 106285508) has the molecular formula C12H21F2NO3 and a molecular weight of 265.30 g/mol. Its IUPAC name is 5-[[(3-ethyl-2-hydroxypentyl)amino]methyl]-3,3-difluorooxolan-2-one.

Molecular Properties

Compound Name5-[[(3-ethyl-2-hydroxypentyl)amino]methyl]-3,3-difluorooxolan-2-one
PubChem CID106285508
Molecular FormulaC12H21F2NO3
Molecular Weight265.30 g/mol
Exact Mass265.15
IUPAC Name5-[[(3-ethyl-2-hydroxypentyl)amino]methyl]-3,3-difluorooxolan-2-one
SMILESCCC(CC)C(O)CNCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C12H21F2NO3/c1-3-8(4-2)10(16)7-15-6-9-5-12(13,14)11(17)18-9/h8-10,15-16H,3-7H2,1-2H3
InChIKeyMTXYXNXFMOAIRM-UHFFFAOYSA-N
XLogP1.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[(3-ethyl-2-hydroxypentyl)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-[[(3-ethyl-2-hydroxypentyl)amino]methyl]-3,3-difluorooxolan-2-one?
The IUPAC name of 5-[[(3-ethyl-2-hydroxypentyl)amino]methyl]-3,3-difluorooxolan-2-one (CID 106285508) is 5-[[(3-ethyl-2-hydroxypentyl)amino]methyl]-3,3-difluorooxolan-2-one.
What is the SMILES notation for 5-[[(3-ethyl-2-hydroxypentyl)amino]methyl]-3,3-difluorooxolan-2-one?
The canonical SMILES for 5-[[(3-ethyl-2-hydroxypentyl)amino]methyl]-3,3-difluorooxolan-2-one is CCC(CC)C(O)CNCC1CC(F)(F)C(=O)O1.
What is the InChIKey of 5-[[(3-ethyl-2-hydroxypentyl)amino]methyl]-3,3-difluorooxolan-2-one?
The InChIKey is MTXYXNXFMOAIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO3/c1-3-8(4-2)10(16)7-15-6-9-5-12(13,14)11(17)18-9/h8-10,15-16H,3-7H2,1-2H3.
What are the key properties of 5-[[(3-ethyl-2-hydroxypentyl)amino]methyl]-3,3-difluorooxolan-2-one?
5-[[(3-ethyl-2-hydroxypentyl)amino]methyl]-3,3-difluorooxolan-2-one has a molecular weight of 265.30 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-ethyl-2-hydroxypentyl)amino]methyl]-3,3-difluorooxolan-2-one is sourced from PubChem (CID 106285508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).