(4S)-4-(3-fluoro-2-methylpropyl)pyrrolidin-2-one

C8H14FNO — CID 59094008

IUPAC(4S)-4-(3-fluoro-2-methylpropyl)pyrrolidin-2-one
SMILESCC(CF)C[C@@H]1CNC(=O)C1
InChIInChI=1S/C8H14FNO/c1-6(4-9)2-7-3-8(11)10-5-7/h6-7H,2-5H2,1H3,(H,10,11)/t6?,7-/m0/s1
InChIKeyFRLFGIMLAMNVGP-MLWJPKLSSA-N
MW159.20 g/mol
LogP1.12
Rot. Bonds3

About (4S)-4-(3-fluoro-2-methylpropyl)pyrrolidin-2-one

(4S)-4-(3-fluoro-2-methylpropyl)pyrrolidin-2-one (PubChem CID 59094008) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is (4S)-4-(3-fluoro-2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(3-fluoro-2-methylpropyl)pyrrolidin-2-one
PubChem CID59094008
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name(4S)-4-(3-fluoro-2-methylpropyl)pyrrolidin-2-one
SMILESCC(CF)C[C@@H]1CNC(=O)C1
InChIInChI=1S/C8H14FNO/c1-6(4-9)2-7-3-8(11)10-5-7/h6-7H,2-5H2,1H3,(H,10,11)/t6?,7-/m0/s1
InChIKeyFRLFGIMLAMNVGP-MLWJPKLSSA-N
XLogP1.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4S)-4-(3-fluoro-2-methylpropyl)pyrrolidin-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 (4S)-4-(3-fluoro-2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(3-fluoro-2-methylpropyl)pyrrolidin-2-one (CID 59094008) is (4S)-4-(3-fluoro-2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(3-fluoro-2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(3-fluoro-2-methylpropyl)pyrrolidin-2-one is CC(CF)C[C@@H]1CNC(=O)C1.
What is the InChIKey of (4S)-4-(3-fluoro-2-methylpropyl)pyrrolidin-2-one?
The InChIKey is FRLFGIMLAMNVGP-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H14FNO/c1-6(4-9)2-7-3-8(11)10-5-7/h6-7H,2-5H2,1H3,(H,10,11)/t6?,7-/m0/s1.
What are the key properties of (4S)-4-(3-fluoro-2-methylpropyl)pyrrolidin-2-one?
(4S)-4-(3-fluoro-2-methylpropyl)pyrrolidin-2-one has a molecular weight of 159.20 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-fluoro-2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 59094008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).