(3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C7H11F3N2O2 — CID 103646810

IUPAC(3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CC[C@H](O)C1
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)4-11-6(14)12-2-1-5(13)3-12/h5,13H,1-4H2,(H,11,14)/t5-/m0/s1
InChIKeyXSMZAKQPHSNUOV-YFKPBYRVSA-N
MW212.17 g/mol
LogP0.32
Rot. Bonds1

About (3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

(3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 103646810) has the molecular formula C7H11F3N2O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is (3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
PubChem CID103646810
Molecular FormulaC7H11F3N2O2
Molecular Weight212.17 g/mol
Exact Mass212.08
IUPAC Name(3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CC[C@H](O)C1
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)4-11-6(14)12-2-1-5(13)3-12/h5,13H,1-4H2,(H,11,14)/t5-/m0/s1
InChIKeyXSMZAKQPHSNUOV-YFKPBYRVSA-N
XLogP0.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dihydroxypyrrolidin-2-yl)-2,2,2-trifluoro-N-methylacetamide
CID 87524500
(3R,4R)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-carboxamide
CID 122536269
(3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-carboxamide
CID 122536272
(3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide
CID 138583447
(3R,4R)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide
CID 138583552
3-Fluoro-4-hydroxypyrrolidine-1-carboxamide
CID 152447553
3-methoxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 103532048
(3R)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 103646814
N-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-1-carboxamide
CID 103731763
(3S,4R)-3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 103739416
3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 104410864
N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-1-carboxamide
CID 104858624

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 103646810) is (3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is O=C(NCC(F)(F)F)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The InChIKey is XSMZAKQPHSNUOV-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11F3N2O2/c8-7(9,10)4-11-6(14)12-2-1-5(13)3-12/h5,13H,1-4H2,(H,11,14)/t5-/m0/s1.
What are the key properties of (3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
(3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 212.17 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 103646810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).