1-[(2S)-2-acetylpyrrolidin-1-yl]-2,2,2-trifluoroethanone

C8H10F3NO2 — CID 59041040

IUPAC1-[(2S)-2-acetylpyrrolidin-1-yl]-2,2,2-trifluoroethanone
SMILESCC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO2/c1-5(13)6-3-2-4-12(6)7(14)8(9,10)11/h6H,2-4H2,1H3/t6-/m0/s1
InChIKeyYYYRDXGMUCTAST-LURJTMIESA-N
MW209.17 g/mol
LogP1.13
Rot. Bonds1

About 1-[(2S)-2-acetylpyrrolidin-1-yl]-2,2,2-trifluoroethanone

1-[(2S)-2-acetylpyrrolidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 59041040) has the molecular formula C8H10F3NO2 and a molecular weight of 209.17 g/mol. Its IUPAC name is 1-[(2S)-2-acetylpyrrolidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[(2S)-2-acetylpyrrolidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID59041040
Molecular FormulaC8H10F3NO2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC Name1-[(2S)-2-acetylpyrrolidin-1-yl]-2,2,2-trifluoroethanone
SMILESCC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO2/c1-5(13)6-3-2-4-12(6)7(14)8(9,10)11/h6H,2-4H2,1H3/t6-/m0/s1
InChIKeyYYYRDXGMUCTAST-LURJTMIESA-N
XLogP1.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tert-butyl 2-(2,2,2-trifluoroacetyl)pyrrolidine-1-carboxylate
CID 90656926
3,3,4,4,5,5,5-heptafluoro-2-oxo-N,N-di(propan-2-yl)pentanamide
CID 85943138
1-(2,2,2-Trifluoroacetyl)pyrrolidine-2-carbonyl fluoride
CID 177851596
1-(1-Acetyl-4,4-difluoropyrrolidin-2-yl)ethanone
CID 21015975
2-Methyl-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]propan-1-one
CID 22953695
1-(2-Acetylpyrrolidin-1-yl)-2,2,2-trifluoroethanone
CID 22973135
(S)-tert-butyl 2-(2,2,2-trifluoroacetyl)pyrrolidine-1-carboxylate
CID 57726631
1-[1-(2-Bromoacetyl)pyrrolidin-2-yl]-2,2,2-trifluoroethanone
CID 57726774
1-[(2S)-1-acetyl-4,4-difluoropyrrolidin-2-yl]ethanone
CID 58606335
2-methyl-1-[(2S)-1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]propan-1-one
CID 59038059
1-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]ethanone
CID 59215643
Tert-butyl 2-acetyl-4,4-difluoropyrrolidine-1-carboxylate
CID 59853568

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-acetylpyrrolidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[(2S)-2-acetylpyrrolidin-1-yl]-2,2,2-trifluoroethanone (CID 59041040) is 1-[(2S)-2-acetylpyrrolidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[(2S)-2-acetylpyrrolidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[(2S)-2-acetylpyrrolidin-1-yl]-2,2,2-trifluoroethanone is CC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F.
What is the InChIKey of 1-[(2S)-2-acetylpyrrolidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is YYYRDXGMUCTAST-LURJTMIESA-N. The full InChI is InChI=1S/C8H10F3NO2/c1-5(13)6-3-2-4-12(6)7(14)8(9,10)11/h6H,2-4H2,1H3/t6-/m0/s1.
What are the key properties of 1-[(2S)-2-acetylpyrrolidin-1-yl]-2,2,2-trifluoroethanone?
1-[(2S)-2-acetylpyrrolidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 209.17 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-acetylpyrrolidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 59041040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).