(3R,5S)-3-hydroxy-5-(trifluoromethyl)pyrrolidin-2-one

C5H6F3NO2 — CID 171790929

IUPAC(3R,5S)-3-hydroxy-5-(trifluoromethyl)pyrrolidin-2-one
SMILESO=C1N[C@H](C(F)(F)F)C[C@H]1O
InChIInChI=1S/C5H6F3NO2/c6-5(7,8)3-1-2(10)4(11)9-3/h2-3,10H,1H2,(H,9,11)/t2-,3+/m1/s1
InChIKeyUTIXGKNAXHNTMJ-GBXIJSLDSA-N
MW169.10 g/mol
LogP-0.20
Rot. Bonds

About (3R,5S)-3-hydroxy-5-(trifluoromethyl)pyrrolidin-2-one

(3R,5S)-3-hydroxy-5-(trifluoromethyl)pyrrolidin-2-one (PubChem CID 171790929) has the molecular formula C5H6F3NO2 and a molecular weight of 169.10 g/mol. Its IUPAC name is (3R,5S)-3-hydroxy-5-(trifluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R,5S)-3-hydroxy-5-(trifluoromethyl)pyrrolidin-2-one
PubChem CID171790929
Molecular FormulaC5H6F3NO2
Molecular Weight169.10 g/mol
Exact Mass169.04
IUPAC Name(3R,5S)-3-hydroxy-5-(trifluoromethyl)pyrrolidin-2-one
SMILESO=C1N[C@H](C(F)(F)F)C[C@H]1O
InChIInChI=1S/C5H6F3NO2/c6-5(7,8)3-1-2(10)4(11)9-3/h2-3,10H,1H2,(H,9,11)/t2-,3+/m1/s1
InChIKeyUTIXGKNAXHNTMJ-GBXIJSLDSA-N
XLogP-0.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.10
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-3,3-Difluoro-5-(hydroxymethyl)pyrrolidin-2-one
CID 11768754
2-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide
CID 57029241
(4R,5S)-5-ethyl-3,3-difluoro-4-hydroxypyrrolidin-2-one
CID 57577519
(4R,5S)-3,3-difluoro-4-hydroxy-5-methylpyrrolidin-2-one
CID 59556931
3,3-Difluoro-5-(hydroxymethyl)pyrrolidin-2-one
CID 66621935
3,3-Difluoro-4-hydroxy-5-methylpyrrolidin-2-one
CID 72325701
(R)-3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one
CID 90025681
(3R)-1-(3,3-difluoropiperidin-4-yl)-3-hydroxypyrrolidin-2-one
CID 156345449
(5S)-3-hydroxy-1-methyl-5-(trifluoromethyl)pyrrolidin-2-one
CID 170382340
3-Hydroxy-1-methyl-5-(trifluoromethyl)pyrrolidin-2-one
CID 170574020
(3S,5S)-3-hydroxy-5-(trifluoromethyl)pyrrolidin-2-one
CID 171790889
(3R)-1-[(4S)-3,3-difluoropiperidin-4-yl]-3-hydroxypyrrolidin-2-one
CID 156313546

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3-hydroxy-5-(trifluoromethyl)pyrrolidin-2-one?
The IUPAC name of (3R,5S)-3-hydroxy-5-(trifluoromethyl)pyrrolidin-2-one (CID 171790929) is (3R,5S)-3-hydroxy-5-(trifluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for (3R,5S)-3-hydroxy-5-(trifluoromethyl)pyrrolidin-2-one?
The canonical SMILES for (3R,5S)-3-hydroxy-5-(trifluoromethyl)pyrrolidin-2-one is O=C1N[C@H](C(F)(F)F)C[C@H]1O.
What is the InChIKey of (3R,5S)-3-hydroxy-5-(trifluoromethyl)pyrrolidin-2-one?
The InChIKey is UTIXGKNAXHNTMJ-GBXIJSLDSA-N. The full InChI is InChI=1S/C5H6F3NO2/c6-5(7,8)3-1-2(10)4(11)9-3/h2-3,10H,1H2,(H,9,11)/t2-,3+/m1/s1.
What are the key properties of (3R,5S)-3-hydroxy-5-(trifluoromethyl)pyrrolidin-2-one?
(3R,5S)-3-hydroxy-5-(trifluoromethyl)pyrrolidin-2-one has a molecular weight of 169.10 g/mol, XLogP of -0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-hydroxy-5-(trifluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 171790929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).