4,4,4-trifluoro-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one

C8H12F3NO2 — CID 66291223

IUPAC4,4,4-trifluoro-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one
SMILESO=C(CCC(F)(F)F)N1CC[C@@H](O)C1
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)3-1-7(14)12-4-2-6(13)5-12/h6,13H,1-5H2/t6-/m1/s1
InChIKeyMQZNQWISVIYGHE-ZCFIWIBFSA-N
MW211.18 g/mol
LogP0.92
Rot. Bonds2

About 4,4,4-trifluoro-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one

4,4,4-trifluoro-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one (PubChem CID 66291223) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one
PubChem CID66291223
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name4,4,4-trifluoro-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one
SMILESO=C(CCC(F)(F)F)N1CC[C@@H](O)C1
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)3-1-7(14)12-4-2-6(13)5-12/h6,13H,1-5H2/t6-/m1/s1
InChIKeyMQZNQWISVIYGHE-ZCFIWIBFSA-N
XLogP0.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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-(3,3,3-Trifluoro-1-hydroxypropyl)pyrrolidin-2-one
CID 25029672
1-[(4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 58790231
1-(cis-3,4-Dihydroxy-pyrrolidin-1-yl)-2,2,2-trifluoro-ethanone
CID 58865590
2,2,2-trifluoro-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 59800205
2,2,2-Trifluoro-1-(3-hydroxy-4-methylpyrrolidin-1-yl)ethanone
CID 59898862
2,2,2-Trifluoro-1-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62916597
(2S)-3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 67704779
1-[(4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 68086233
1-(3-Fluoro-4-hydroxypyrrolidin-1-yl)propan-1-one
CID 77405134

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one?
The IUPAC name of 4,4,4-trifluoro-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one (CID 66291223) is 4,4,4-trifluoro-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 4,4,4-trifluoro-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one is O=C(CCC(F)(F)F)N1CC[C@@H](O)C1.
What is the InChIKey of 4,4,4-trifluoro-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one?
The InChIKey is MQZNQWISVIYGHE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12F3NO2/c9-8(10,11)3-1-7(14)12-4-2-6(13)5-12/h6,13H,1-5H2/t6-/m1/s1.
What are the key properties of 4,4,4-trifluoro-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one?
4,4,4-trifluoro-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one has a molecular weight of 211.18 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 66291223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).