4-[2,2-difluoroethyl(methyl)amino]oxolane-3-carboxylic acid

C8H13F2NO3 — CID 66235189

IUPAC4-[2,2-difluoroethyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCN(CC(F)F)C1COCC1C(=O)O
InChIInChI=1S/C8H13F2NO3/c1-11(2-7(9)10)6-4-14-3-5(6)8(12)13/h5-7H,2-4H2,1H3,(H,12,13)
InChIKeyPAOVWQOJLXZUBU-UHFFFAOYSA-N
MW209.19 g/mol
LogP0.28
Rot. Bonds4

About 4-[2,2-difluoroethyl(methyl)amino]oxolane-3-carboxylic acid

4-[2,2-difluoroethyl(methyl)amino]oxolane-3-carboxylic acid (PubChem CID 66235189) has the molecular formula C8H13F2NO3 and a molecular weight of 209.19 g/mol. Its IUPAC name is 4-[2,2-difluoroethyl(methyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[2,2-difluoroethyl(methyl)amino]oxolane-3-carboxylic acid
PubChem CID66235189
Molecular FormulaC8H13F2NO3
Molecular Weight209.19 g/mol
Exact Mass209.09
IUPAC Name4-[2,2-difluoroethyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCN(CC(F)F)C1COCC1C(=O)O
InChIInChI=1S/C8H13F2NO3/c1-11(2-7(9)10)6-4-14-3-5(6)8(12)13/h5-7H,2-4H2,1H3,(H,12,13)
InChIKeyPAOVWQOJLXZUBU-UHFFFAOYSA-N
XLogP0.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2,2-difluoroethyl(methyl)amino]oxolane-3-carboxylic acid 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 4-[2,2-difluoroethyl(methyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[2,2-difluoroethyl(methyl)amino]oxolane-3-carboxylic acid (CID 66235189) is 4-[2,2-difluoroethyl(methyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[2,2-difluoroethyl(methyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[2,2-difluoroethyl(methyl)amino]oxolane-3-carboxylic acid is CN(CC(F)F)C1COCC1C(=O)O.
What is the InChIKey of 4-[2,2-difluoroethyl(methyl)amino]oxolane-3-carboxylic acid?
The InChIKey is PAOVWQOJLXZUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO3/c1-11(2-7(9)10)6-4-14-3-5(6)8(12)13/h5-7H,2-4H2,1H3,(H,12,13).
What are the key properties of 4-[2,2-difluoroethyl(methyl)amino]oxolane-3-carboxylic acid?
4-[2,2-difluoroethyl(methyl)amino]oxolane-3-carboxylic acid has a molecular weight of 209.19 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-difluoroethyl(methyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66235189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).