(4S)-4-(4-fluoro-2-methylbutyl)-1-propan-2-ylpyrrolidin-2-one

C12H22FNO — CID 59109339

IUPAC(4S)-4-(4-fluoro-2-methylbutyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(CCF)C[C@H]1CC(=O)N(C(C)C)C1
InChIInChI=1S/C12H22FNO/c1-9(2)14-8-11(7-12(14)15)6-10(3)4-5-13/h9-11H,4-8H2,1-3H3/t10?,11-/m0/s1
InChIKeyWCSSZLNKSICBBV-DTIOYNMSSA-N
MW215.31 g/mol
LogP2.63
Rot. Bonds5

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

(4S)-4-(4-fluoro-2-methylbutyl)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 59109339) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is (4S)-4-(4-fluoro-2-methylbutyl)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(4-fluoro-2-methylbutyl)-1-propan-2-ylpyrrolidin-2-one
PubChem CID59109339
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name(4S)-4-(4-fluoro-2-methylbutyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(CCF)C[C@H]1CC(=O)N(C(C)C)C1
InChIInChI=1S/C12H22FNO/c1-9(2)14-8-11(7-12(14)15)6-10(3)4-5-13/h9-11H,4-8H2,1-3H3/t10?,11-/m0/s1
InChIKeyWCSSZLNKSICBBV-DTIOYNMSSA-N
XLogP2.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-di-i-propyl-2-ethylhexanamide
CID 559438
Cyclohexyl(pyrrolidin-1-yl)methanone
CID 5087171
Valproyl-2-pyrrolidinone
CID 129151
(4,4-Difluorocyclohexyl)-(2-methylpyrrolidin-1-yl)methanone
CID 67953860
1-(2-Ethylhexyl)pyrrolidin-2-one
CID 15350951
Cyclopentaneacetamide, N,N-diethyl-
CID 10797552
N,N-di(propan-2-yl)cyclopentanecarboxamide
CID 4380323
1-Butyl-3-dodecyl-2-pyrrolidone
CID 9922687
1,3,4,5-Tetramethylpyrrolidin-2-one
CID 14767583
2-Cyclopentyl-1-(pyrrolidin-1-yl)ethan-1-one
CID 60634955
N-(2-ethyl)hexylbutyrolactam
CID 67293747
N-cyclopentyl-N-methylcyclohexanecarboxamide
CID 30392151

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-fluoro-2-methylbutyl)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (4S)-4-(4-fluoro-2-methylbutyl)-1-propan-2-ylpyrrolidin-2-one (CID 59109339) is (4S)-4-(4-fluoro-2-methylbutyl)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(4-fluoro-2-methylbutyl)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-(4-fluoro-2-methylbutyl)-1-propan-2-ylpyrrolidin-2-one is CC(CCF)C[C@H]1CC(=O)N(C(C)C)C1.
What is the InChIKey of (4S)-4-(4-fluoro-2-methylbutyl)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is WCSSZLNKSICBBV-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H22FNO/c1-9(2)14-8-11(7-12(14)15)6-10(3)4-5-13/h9-11H,4-8H2,1-3H3/t10?,11-/m0/s1.
What are the key properties of (4S)-4-(4-fluoro-2-methylbutyl)-1-propan-2-ylpyrrolidin-2-one?
(4S)-4-(4-fluoro-2-methylbutyl)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 215.31 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-fluoro-2-methylbutyl)-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 59109339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).