2,2,2-trifluoro-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone

C6H8F3NO2 — CID 59800205

IUPAC2,2,2-trifluoro-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
SMILESO=C(N1CC[C@H](O)C1)C(F)(F)F
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)5(12)10-2-1-4(11)3-10/h4,11H,1-3H2/t4-/m0/s1
InChIKeyZJCSEGXWNUZVNZ-BYPYZUCNSA-N
MW183.13 g/mol
LogP0.14
Rot. Bonds

About 2,2,2-trifluoro-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone

2,2,2-trifluoro-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone (PubChem CID 59800205) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
PubChem CID59800205
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name2,2,2-trifluoro-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
SMILESO=C(N1CC[C@H](O)C1)C(F)(F)F
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)5(12)10-2-1-4(11)3-10/h4,11H,1-3H2/t4-/m0/s1
InChIKeyZJCSEGXWNUZVNZ-BYPYZUCNSA-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

(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol
CID 64116183
1-(3-Hydroxypyrrolidin-1-yl)ethanone
CID 10197700
(R)-1-Acetyl-3-pyrrolidinol
CID 10486876
1-((3S)-3-Hydroxypyrrolidin-1-yl)ethan-1-one
CID 55267746
1-(2,2-Difluoroethyl)pyrrolidin-3-ol
CID 62918041
(3S)-1-(2,2-difluoroethyl)pyrrolidin-3-ol
CID 64115141
(S)-3-hydroxy-1-(2,2,2-trifluoroethyl)-2-pyrrolidinone
CID 100665335
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-(cis-3,4-Dihydroxy-pyrrolidin-1-yl)-2,2,2-trifluoro-ethanone
CID 58865590
2,2,2-Trifluoro-1-(3-hydroxy-4-methylpyrrolidin-1-yl)ethanone
CID 59898862
2,2,2-trifluoro-N-(2-hydroxypropyl)-N-methylacetamide
CID 62334443

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone (CID 59800205) is 2,2,2-trifluoro-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone is O=C(N1CC[C@H](O)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone?
The InChIKey is ZJCSEGXWNUZVNZ-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H8F3NO2/c7-6(8,9)5(12)10-2-1-4(11)3-10/h4,11H,1-3H2/t4-/m0/s1.
What are the key properties of 2,2,2-trifluoro-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone?
2,2,2-trifluoro-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone 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 2,2,2-trifluoro-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 59800205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).