1-[(2S,3R,4S)-4-fluoro-2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone

C8H14FNO2 — CID 165171706

IUPAC1-[(2S,3R,4S)-4-fluoro-2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
SMILESCC(=O)N1C[C@@H](F)[C@H](C)[C@H]1CO
InChIInChI=1S/C8H14FNO2/c1-5-7(9)3-10(6(2)12)8(5)4-11/h5,7-8,11H,3-4H2,1-2H3/t5-,7+,8+/m0/s1
InChIKeyQVKPPLGRSOUESJ-UIISKDMLSA-N
MW175.20 g/mol
LogP0.18
Rot. Bonds1

About 1-[(2S,3R,4S)-4-fluoro-2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone

1-[(2S,3R,4S)-4-fluoro-2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone (PubChem CID 165171706) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is 1-[(2S,3R,4S)-4-fluoro-2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,3R,4S)-4-fluoro-2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
PubChem CID165171706
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name1-[(2S,3R,4S)-4-fluoro-2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
SMILESCC(=O)N1C[C@@H](F)[C@H](C)[C@H]1CO
InChIInChI=1S/C8H14FNO2/c1-5-7(9)3-10(6(2)12)8(5)4-11/h5,7-8,11H,3-4H2,1-2H3/t5-,7+,8+/m0/s1
InChIKeyQVKPPLGRSOUESJ-UIISKDMLSA-N
XLogP0.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2S,3R,4S)-4-fluoro-2-(hydroxymethyl)-3-methylpyrrolidin-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,3R,4S)-4-fluoro-2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2S,3R,4S)-4-fluoro-2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone (CID 165171706) is 1-[(2S,3R,4S)-4-fluoro-2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,3R,4S)-4-fluoro-2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S,3R,4S)-4-fluoro-2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone is CC(=O)N1C[C@@H](F)[C@H](C)[C@H]1CO.
What is the InChIKey of 1-[(2S,3R,4S)-4-fluoro-2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone?
The InChIKey is QVKPPLGRSOUESJ-UIISKDMLSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-5-7(9)3-10(6(2)12)8(5)4-11/h5,7-8,11H,3-4H2,1-2H3/t5-,7+,8+/m0/s1.
What are the key properties of 1-[(2S,3R,4S)-4-fluoro-2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone?
1-[(2S,3R,4S)-4-fluoro-2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone has a molecular weight of 175.20 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R,4S)-4-fluoro-2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 165171706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).