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

C7H10F3NO2 — CID 129493448

IUPAC1,1,1-trifluoro-3-[(3S)-3-hydroxypyrrolidin-1-yl]propan-2-one
SMILESO=C(CN1CC[C@H](O)C1)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)6(13)4-11-2-1-5(12)3-11/h5,12H,1-4H2/t5-/m0/s1
InChIKeyKGVIZNPIYFFJPO-YFKPBYRVSA-N
MW197.16 g/mol
LogP0.18
Rot. Bonds2

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

1,1,1-trifluoro-3-[(3S)-3-hydroxypyrrolidin-1-yl]propan-2-one (PubChem CID 129493448) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(3S)-3-hydroxypyrrolidin-1-yl]propan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(3S)-3-hydroxypyrrolidin-1-yl]propan-2-one
PubChem CID129493448
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name1,1,1-trifluoro-3-[(3S)-3-hydroxypyrrolidin-1-yl]propan-2-one
SMILESO=C(CN1CC[C@H](O)C1)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)6(13)4-11-2-1-5(12)3-11/h5,12H,1-4H2/t5-/m0/s1
InChIKeyKGVIZNPIYFFJPO-YFKPBYRVSA-N
XLogP0.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol
CID 64116183
1-(2,2-Difluoroethyl)pyrrolidin-3-ol
CID 62918041
(3S)-1-(2,2-difluoroethyl)pyrrolidin-3-ol
CID 64115141
(3R,4S)-1-(2,2-difluoroethyl)pyrrolidine-3,4-diol
CID 79419670
2,2,2-trifluoro-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 59800205
1-(2,2,2-Trifluoroethyl)pyrrolidin-3-ol
CID 62916301
2,2,2-Trifluoro-1-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62916597
1-(Trifluoromethyl)pyrrolidin-3-ol
CID 67181842
(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-ol
CID 78963709
4,4-Difluoro-1-methylpyrrolidin-3-ol
CID 105530057
(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol
CID 121597862
(S)-4,4-Difluoro-1-methylpyrrolidin-3-ol
CID 122449630

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(3S)-3-hydroxypyrrolidin-1-yl]propan-2-one?
The IUPAC name of 1,1,1-trifluoro-3-[(3S)-3-hydroxypyrrolidin-1-yl]propan-2-one (CID 129493448) is 1,1,1-trifluoro-3-[(3S)-3-hydroxypyrrolidin-1-yl]propan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-3-[(3S)-3-hydroxypyrrolidin-1-yl]propan-2-one?
The canonical SMILES for 1,1,1-trifluoro-3-[(3S)-3-hydroxypyrrolidin-1-yl]propan-2-one is O=C(CN1CC[C@H](O)C1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[(3S)-3-hydroxypyrrolidin-1-yl]propan-2-one?
The InChIKey is KGVIZNPIYFFJPO-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10F3NO2/c8-7(9,10)6(13)4-11-2-1-5(12)3-11/h5,12H,1-4H2/t5-/m0/s1.
What are the key properties of 1,1,1-trifluoro-3-[(3S)-3-hydroxypyrrolidin-1-yl]propan-2-one?
1,1,1-trifluoro-3-[(3S)-3-hydroxypyrrolidin-1-yl]propan-2-one has a molecular weight of 197.16 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(3S)-3-hydroxypyrrolidin-1-yl]propan-2-one is sourced from PubChem (CID 129493448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).