(2R)-3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one

C7H10F3NO2 — CID 124582793

IUPAC(2R)-3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C([C@@H](O)C(F)(F)F)N1CCCC1
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)5(12)6(13)11-3-1-2-4-11/h5,12H,1-4H2/t5-/m1/s1
InChIKeyRQZXYWVKRSVBQX-RXMQYKEDSA-N
MW197.16 g/mol
LogP0.53
Rot. Bonds1

About (2R)-3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one

(2R)-3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 124582793) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one
PubChem CID124582793
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name(2R)-3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C([C@@H](O)C(F)(F)F)N1CCCC1
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)5(12)6(13)11-3-1-2-4-11/h5,12H,1-4H2/t5-/m1/s1
InChIKeyRQZXYWVKRSVBQX-RXMQYKEDSA-N
XLogP0.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-3,3,3-trifluoro-1-piperidin-1-ylpropan-1-one
CID 2781253
3,3,3-trifluoro-2-hydroxy-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one
CID 155262197
(2R)-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 91806212
(2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one
CID 130736139
2,3-dihydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 130148123
2,3,3-trimethyl-1-pyrrolidin-1-ylbutan-1-one
CID 77436471
2,2,3,3-tetrafluoro-1,4-di(piperidin-1-yl)butane-1,4-dione
CID 4999121
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
(2R)-1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 51943619
2,2,2-trifluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 62490280
1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)propan-1-one
CID 43089165
N-methyl-N-(4-methylphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidine-4-carboxamide
CID 145388998

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2R)-3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one (CID 124582793) is (2R)-3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one is O=C([C@@H](O)C(F)(F)F)N1CCCC1.
What is the InChIKey of (2R)-3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is RQZXYWVKRSVBQX-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10F3NO2/c8-7(9,10)5(12)6(13)11-3-1-2-4-11/h5,12H,1-4H2/t5-/m1/s1.
What are the key properties of (2R)-3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one?
(2R)-3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 197.16 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 124582793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).