(4S)-4-(3-fluoro-2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one

C11H20FNO — CID 59109326

IUPAC(4S)-4-(3-fluoro-2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(CF)C[C@H]1CC(=O)N(C(C)C)C1
InChIInChI=1S/C11H20FNO/c1-8(2)13-7-10(5-11(13)14)4-9(3)6-12/h8-10H,4-7H2,1-3H3/t9?,10-/m0/s1
InChIKeyLGXMWZRZMFVBDM-AXDSSHIGSA-N
MW201.28 g/mol
LogP2.24
Rot. Bonds4

About (4S)-4-(3-fluoro-2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one

(4S)-4-(3-fluoro-2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 59109326) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is (4S)-4-(3-fluoro-2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(3-fluoro-2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one
PubChem CID59109326
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name(4S)-4-(3-fluoro-2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(CF)C[C@H]1CC(=O)N(C(C)C)C1
InChIInChI=1S/C11H20FNO/c1-8(2)13-7-10(5-11(13)14)4-9(3)6-12/h8-10H,4-7H2,1-3H3/t9?,10-/m0/s1
InChIKeyLGXMWZRZMFVBDM-AXDSSHIGSA-N
XLogP2.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-di-i-propyl-2-ethylhexanamide
CID 559438
Valproyl-2-pyrrolidinone
CID 129151
(4,4-Difluorocyclohexyl)-(2-methylpyrrolidin-1-yl)methanone
CID 67953860
1-(2-Ethylhexyl)pyrrolidin-2-one
CID 15350951
N,N-di(propan-2-yl)cyclopentanecarboxamide
CID 4380323
1,3,4,5-Tetramethylpyrrolidin-2-one
CID 14767583
N-(2-ethyl)hexylbutyrolactam
CID 67293747
(4R,5R)-1,4,5-trimethylpyrrolidin-2-one
CID 68039658
1-Tert-butyl-4-ethylpyrrolidin-2-one
CID 85681495
1-Tert-butyl-4-propan-2-ylpyrrolidin-2-one
CID 85681497
(4S)-4-(4-fluoro-2-methylbutyl)-1-propan-2-ylpyrrolidin-2-one
CID 59109339
2-Pyrrolidinone,1-(chloromethyl)-4-(2,2-difluoropropyl)-
CID 67116886

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-fluoro-2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (4S)-4-(3-fluoro-2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one (CID 59109326) is (4S)-4-(3-fluoro-2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(3-fluoro-2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-(3-fluoro-2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one is CC(CF)C[C@H]1CC(=O)N(C(C)C)C1.
What is the InChIKey of (4S)-4-(3-fluoro-2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is LGXMWZRZMFVBDM-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H20FNO/c1-8(2)13-7-10(5-11(13)14)4-9(3)6-12/h8-10H,4-7H2,1-3H3/t9?,10-/m0/s1.
What are the key properties of (4S)-4-(3-fluoro-2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one?
(4S)-4-(3-fluoro-2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 201.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-fluoro-2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 59109326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).