(5S)-3-hydroxy-1-methyl-5-(trifluoromethyl)pyrrolidin-2-one

C6H8F3NO2 — CID 170382340

IUPAC(5S)-3-hydroxy-1-methyl-5-(trifluoromethyl)pyrrolidin-2-one
SMILESCN1C(=O)C(O)C[C@H]1C(F)(F)F
InChIInChI=1S/C6H8F3NO2/c1-10-4(6(7,8)9)2-3(11)5(10)12/h3-4,11H,2H2,1H3/t3?,4-/m0/s1
InChIKeyUKQZCPSCLBTONJ-BKLSDQPFSA-N
MW183.13 g/mol
LogP0.14
Rot. Bonds

About (5S)-3-hydroxy-1-methyl-5-(trifluoromethyl)pyrrolidin-2-one

(5S)-3-hydroxy-1-methyl-5-(trifluoromethyl)pyrrolidin-2-one (PubChem CID 170382340) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is (5S)-3-hydroxy-1-methyl-5-(trifluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-3-hydroxy-1-methyl-5-(trifluoromethyl)pyrrolidin-2-one
PubChem CID170382340
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name(5S)-3-hydroxy-1-methyl-5-(trifluoromethyl)pyrrolidin-2-one
SMILESCN1C(=O)C(O)C[C@H]1C(F)(F)F
InChIInChI=1S/C6H8F3NO2/c1-10-4(6(7,8)9)2-3(11)5(10)12/h3-4,11H,2H2,1H3/t3?,4-/m0/s1
InChIKeyUKQZCPSCLBTONJ-BKLSDQPFSA-N
XLogP0.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-3-hydroxy-1-(2,2,2-trifluoroethyl)-2-pyrrolidinone
CID 100665335
4-Hydroxy-1,5-dimethylpyrrolidin-2-one
CID 119031360
3,3-Difluoro-5-(hydroxymethyl)-1-methylpyrrolidin-2-one
CID 90054452
3-Hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 91623568
2,2,2-Trifluoro-1-(4-hydroxy-2-methylpyrrolidin-1-yl)ethanone
CID 123475695
(2,2-difluorocyclopropyl)-[(2R,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone
CID 132228360
(3R)-4,4-difluoro-3-hydroxy-1-methylpyrrolidin-2-one
CID 170382338
acetylene;(5S)-3-hydroxy-1-methyl-5-(trifluoromethyl)pyrrolidin-2-one
CID 170573426
4,4-Difluoro-3-hydroxy-1-methylpyrrolidin-2-one
CID 170573482
3-Hydroxy-1-methyl-5-(trifluoromethyl)pyrrolidin-2-one
CID 170574020
(3S,5S)-3-hydroxy-5-(trifluoromethyl)pyrrolidin-2-one
CID 171790889
(3R,5S)-3-hydroxy-5-(trifluoromethyl)pyrrolidin-2-one
CID 171790929

Frequently Asked Questions

What is the IUPAC name of (5S)-3-hydroxy-1-methyl-5-(trifluoromethyl)pyrrolidin-2-one?
The IUPAC name of (5S)-3-hydroxy-1-methyl-5-(trifluoromethyl)pyrrolidin-2-one (CID 170382340) is (5S)-3-hydroxy-1-methyl-5-(trifluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-3-hydroxy-1-methyl-5-(trifluoromethyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-3-hydroxy-1-methyl-5-(trifluoromethyl)pyrrolidin-2-one is CN1C(=O)C(O)C[C@H]1C(F)(F)F.
What is the InChIKey of (5S)-3-hydroxy-1-methyl-5-(trifluoromethyl)pyrrolidin-2-one?
The InChIKey is UKQZCPSCLBTONJ-BKLSDQPFSA-N. The full InChI is InChI=1S/C6H8F3NO2/c1-10-4(6(7,8)9)2-3(11)5(10)12/h3-4,11H,2H2,1H3/t3?,4-/m0/s1.
What are the key properties of (5S)-3-hydroxy-1-methyl-5-(trifluoromethyl)pyrrolidin-2-one?
(5S)-3-hydroxy-1-methyl-5-(trifluoromethyl)pyrrolidin-2-one has a molecular weight of 183.13 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-hydroxy-1-methyl-5-(trifluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 170382340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).