(3S)-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C6H8F3NO2 — CID 100665335

IUPAC(3S)-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1[C@@H](O)CCN1CC(F)(F)F
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)3-10-2-1-4(11)5(10)12/h4,11H,1-3H2/t4-/m0/s1
InChIKeyYYUJHPARFSMYDE-BYPYZUCNSA-N
MW183.13 g/mol
LogP0.14
Rot. Bonds1

About (3S)-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

(3S)-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 100665335) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is (3S)-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID100665335
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name(3S)-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1[C@@H](O)CCN1CC(F)(F)F
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)3-10-2-1-4(11)5(10)12/h4,11H,1-3H2/t4-/m0/s1
InChIKeyYYUJHPARFSMYDE-BYPYZUCNSA-N
XLogP0.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

3-Hydroxy-1-methylpyrrolidin-2-one
CID 10313118
(3R)-3-hydroxy-1-methyl-pyrrolidin-2-one
CID 69033113
1-Ethyl-3-hydroxypyrrolidin-2-one
CID 22726194
1-Cyclopropyl-3-hydroxypyrrolidin-2-one
CID 117014160
1-(3-Fluoro-2-hydroxypropyl)pyrrolidine-2,5-dione
CID 100927723
3,3,3-Trifluoro-2-hydroxy-1-(pyrrolidin-1-YL)propan-1-one
CID 14436604
1-(3,4-Dihydroxypyrrolidin-1-yl)-2,2,2-trifluoroethanone
CID 21103637
1-(3,3,3-Trifluoro-1-hydroxypropyl)pyrrolidin-2-one
CID 25029672
1-(cis-3,4-Dihydroxy-pyrrolidin-1-yl)-2,2,2-trifluoro-ethanone
CID 58865590
2,2,2-trifluoro-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 59800205
2,2,2-Trifluoro-1-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62916597
(2S)-3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 67704779

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of (3S)-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 100665335) is (3S)-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for (3S)-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is O=C1[C@@H](O)CCN1CC(F)(F)F.
What is the InChIKey of (3S)-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is YYUJHPARFSMYDE-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H8F3NO2/c7-6(8,9)3-10-2-1-4(11)5(10)12/h4,11H,1-3H2/t4-/m0/s1.
What are the key properties of (3S)-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
(3S)-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 183.13 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 100665335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).