(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(3S)-3-methylpyrrolidin-1-yl]propan-1-one

C9H14F3NO2 — CID 143704682

IUPAC(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(3S)-3-methylpyrrolidin-1-yl]propan-1-one
SMILESC[C@H]1CCN(C(=O)[C@@](C)(O)C(F)(F)F)C1
InChIInChI=1S/C9H14F3NO2/c1-6-3-4-13(5-6)7(14)8(2,15)9(10,11)12/h6,15H,3-5H2,1-2H3/t6-,8+/m0/s1
InChIKeyNPYICVLDXPVRJV-POYBYMJQSA-N
MW225.21 g/mol
LogP1.17
Rot. Bonds1

About (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(3S)-3-methylpyrrolidin-1-yl]propan-1-one

(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(3S)-3-methylpyrrolidin-1-yl]propan-1-one (PubChem CID 143704682) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(3S)-3-methylpyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(3S)-3-methylpyrrolidin-1-yl]propan-1-one
PubChem CID143704682
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(3S)-3-methylpyrrolidin-1-yl]propan-1-one
SMILESC[C@H]1CCN(C(=O)[C@@](C)(O)C(F)(F)F)C1
InChIInChI=1S/C9H14F3NO2/c1-6-3-4-13(5-6)7(14)8(2,15)9(10,11)12/h6,15H,3-5H2,1-2H3/t6-,8+/m0/s1
InChIKeyNPYICVLDXPVRJV-POYBYMJQSA-N
XLogP1.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(3S)-3-methylpyrrolidin-1-yl]propan-1-one?
The IUPAC name of (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(3S)-3-methylpyrrolidin-1-yl]propan-1-one (CID 143704682) is (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(3S)-3-methylpyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(3S)-3-methylpyrrolidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(3S)-3-methylpyrrolidin-1-yl]propan-1-one is C[C@H]1CCN(C(=O)[C@@](C)(O)C(F)(F)F)C1.
What is the InChIKey of (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(3S)-3-methylpyrrolidin-1-yl]propan-1-one?
The InChIKey is NPYICVLDXPVRJV-POYBYMJQSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-6-3-4-13(5-6)7(14)8(2,15)9(10,11)12/h6,15H,3-5H2,1-2H3/t6-,8+/m0/s1.
What are the key properties of (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(3S)-3-methylpyrrolidin-1-yl]propan-1-one?
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(3S)-3-methylpyrrolidin-1-yl]propan-1-one has a molecular weight of 225.21 g/mol, XLogP of 1.17, 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-2-methyl-1-[(3S)-3-methylpyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 143704682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).