(3S,4S)-4-ethyl-3-fluoropyrrolidin-2-one

C6H10FNO — CID 175733375

IUPAC(3S,4S)-4-ethyl-3-fluoropyrrolidin-2-one
SMILESCC[C@H]1CNC(=O)[C@H]1F
InChIInChI=1S/C6H10FNO/c1-2-4-3-8-6(9)5(4)7/h4-5H,2-3H2,1H3,(H,8,9)/t4-,5-/m0/s1
InChIKeyAMYBYSPDALBKEU-WHFBIAKZSA-N
MW131.15 g/mol
LogP0.48
Rot. Bonds1

About (3S,4S)-4-ethyl-3-fluoropyrrolidin-2-one

(3S,4S)-4-ethyl-3-fluoropyrrolidin-2-one (PubChem CID 175733375) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is (3S,4S)-4-ethyl-3-fluoropyrrolidin-2-one.

Molecular Properties

Compound Name(3S,4S)-4-ethyl-3-fluoropyrrolidin-2-one
PubChem CID175733375
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name(3S,4S)-4-ethyl-3-fluoropyrrolidin-2-one
SMILESCC[C@H]1CNC(=O)[C@H]1F
InChIInChI=1S/C6H10FNO/c1-2-4-3-8-6(9)5(4)7/h4-5H,2-3H2,1H3,(H,8,9)/t4-,5-/m0/s1
InChIKeyAMYBYSPDALBKEU-WHFBIAKZSA-N
XLogP0.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3S,4S)-4-ethyl-3-fluoropyrrolidin-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 (3S,4S)-4-ethyl-3-fluoropyrrolidin-2-one?
The IUPAC name of (3S,4S)-4-ethyl-3-fluoropyrrolidin-2-one (CID 175733375) is (3S,4S)-4-ethyl-3-fluoropyrrolidin-2-one.
What is the SMILES notation for (3S,4S)-4-ethyl-3-fluoropyrrolidin-2-one?
The canonical SMILES for (3S,4S)-4-ethyl-3-fluoropyrrolidin-2-one is CC[C@H]1CNC(=O)[C@H]1F.
What is the InChIKey of (3S,4S)-4-ethyl-3-fluoropyrrolidin-2-one?
The InChIKey is AMYBYSPDALBKEU-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H10FNO/c1-2-4-3-8-6(9)5(4)7/h4-5H,2-3H2,1H3,(H,8,9)/t4-,5-/m0/s1.
What are the key properties of (3S,4S)-4-ethyl-3-fluoropyrrolidin-2-one?
(3S,4S)-4-ethyl-3-fluoropyrrolidin-2-one has a molecular weight of 131.15 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-ethyl-3-fluoropyrrolidin-2-one is sourced from PubChem (CID 175733375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).