1-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone

C7H11F2NO2 — CID 147076228

IUPAC1-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC(F)(F)C[C@H]1CO
InChIInChI=1S/C7H11F2NO2/c1-5(12)10-4-7(8,9)2-6(10)3-11/h6,11H,2-4H2,1H3/t6-/m0/s1
InChIKeyBGAAAJOVIWLSOP-LURJTMIESA-N
MW179.17 g/mol
LogP0.23
Rot. Bonds1

About 1-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone

1-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone (PubChem CID 147076228) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 1-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
PubChem CID147076228
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name1-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC(F)(F)C[C@H]1CO
InChIInChI=1S/C7H11F2NO2/c1-5(12)10-4-7(8,9)2-6(10)3-11/h6,11H,2-4H2,1H3/t6-/m0/s1
InChIKeyBGAAAJOVIWLSOP-LURJTMIESA-N
XLogP0.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone 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 1-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone (CID 147076228) is 1-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone is CC(=O)N1CC(F)(F)C[C@H]1CO.
What is the InChIKey of 1-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is BGAAAJOVIWLSOP-LURJTMIESA-N. The full InChI is InChI=1S/C7H11F2NO2/c1-5(12)10-4-7(8,9)2-6(10)3-11/h6,11H,2-4H2,1H3/t6-/m0/s1.
What are the key properties of 1-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
1-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 179.17 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 147076228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).