3-[2,2-difluoroethyl(methyl)amino]oxolan-2-one

C7H11F2NO2 — CID 130683458

IUPAC3-[2,2-difluoroethyl(methyl)amino]oxolan-2-one
SMILESCN(CC(F)F)C1CCOC1=O
InChIInChI=1S/C7H11F2NO2/c1-10(4-6(8)9)5-2-3-12-7(5)11/h5-6H,2-4H2,1H3
InChIKeyOFMMTLXLHNOMJB-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.50
Rot. Bonds3

About 3-[2,2-difluoroethyl(methyl)amino]oxolan-2-one

3-[2,2-difluoroethyl(methyl)amino]oxolan-2-one (PubChem CID 130683458) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 3-[2,2-difluoroethyl(methyl)amino]oxolan-2-one.

Molecular Properties

Compound Name3-[2,2-difluoroethyl(methyl)amino]oxolan-2-one
PubChem CID130683458
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name3-[2,2-difluoroethyl(methyl)amino]oxolan-2-one
SMILESCN(CC(F)F)C1CCOC1=O
InChIInChI=1S/C7H11F2NO2/c1-10(4-6(8)9)5-2-3-12-7(5)11/h5-6H,2-4H2,1H3
InChIKeyOFMMTLXLHNOMJB-UHFFFAOYSA-N
XLogP0.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoroethyl(methyl)amino]oxolan-2-one?
The IUPAC name of 3-[2,2-difluoroethyl(methyl)amino]oxolan-2-one (CID 130683458) is 3-[2,2-difluoroethyl(methyl)amino]oxolan-2-one.
What is the SMILES notation for 3-[2,2-difluoroethyl(methyl)amino]oxolan-2-one?
The canonical SMILES for 3-[2,2-difluoroethyl(methyl)amino]oxolan-2-one is CN(CC(F)F)C1CCOC1=O.
What is the InChIKey of 3-[2,2-difluoroethyl(methyl)amino]oxolan-2-one?
The InChIKey is OFMMTLXLHNOMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c1-10(4-6(8)9)5-2-3-12-7(5)11/h5-6H,2-4H2,1H3.
What are the key properties of 3-[2,2-difluoroethyl(methyl)amino]oxolan-2-one?
3-[2,2-difluoroethyl(methyl)amino]oxolan-2-one has a molecular weight of 179.17 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoroethyl(methyl)amino]oxolan-2-one is sourced from PubChem (CID 130683458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).