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

C5H6F3NO2 — CID 171790889

IUPAC(3S,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-/m0/s1
InChIKeyUTIXGKNAXHNTMJ-HRFVKAFMSA-N
MW169.10 g/mol
LogP-0.20
Rot. Bonds

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

(3S,5S)-3-hydroxy-5-(trifluoromethyl)pyrrolidin-2-one (PubChem CID 171790889) has the molecular formula C5H6F3NO2 and a molecular weight of 169.10 g/mol. Its IUPAC name is (3S,5S)-3-hydroxy-5-(trifluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S,5S)-3-hydroxy-5-(trifluoromethyl)pyrrolidin-2-one
PubChem CID171790889
Molecular FormulaC5H6F3NO2
Molecular Weight169.10 g/mol
Exact Mass169.04
IUPAC Name(3S,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-/m0/s1
InChIKeyUTIXGKNAXHNTMJ-HRFVKAFMSA-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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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-hydroxy-5-(trifluoromethyl)pyrrolidin-2-one?
The IUPAC name of (3S,5S)-3-hydroxy-5-(trifluoromethyl)pyrrolidin-2-one (CID 171790889) is (3S,5S)-3-hydroxy-5-(trifluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for (3S,5S)-3-hydroxy-5-(trifluoromethyl)pyrrolidin-2-one?
The canonical SMILES for (3S,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 (3S,5S)-3-hydroxy-5-(trifluoromethyl)pyrrolidin-2-one?
The InChIKey is UTIXGKNAXHNTMJ-HRFVKAFMSA-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-/m0/s1.
What are the key properties of (3S,5S)-3-hydroxy-5-(trifluoromethyl)pyrrolidin-2-one?
(3S,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 (3S,5S)-3-hydroxy-5-(trifluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 171790889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).