2,2,2-trifluoro-1-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone

C9H14F3NO2 — CID 58781362

IUPAC2,2,2-trifluoro-1-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone
SMILESCC(C)(O)[C@@H]1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-8(2,15)6-4-3-5-13(6)7(14)9(10,11)12/h6,15H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyCLMJJHMZGOPUTJ-LURJTMIESA-N
MW225.21 g/mol
LogP1.31
Rot. Bonds1

About 2,2,2-trifluoro-1-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone

2,2,2-trifluoro-1-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 58781362) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID58781362
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name2,2,2-trifluoro-1-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone
SMILESCC(C)(O)[C@@H]1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-8(2,15)6-4-3-5-13(6)7(14)9(10,11)12/h6,15H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyCLMJJHMZGOPUTJ-LURJTMIESA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone (CID 58781362) is 2,2,2-trifluoro-1-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone is CC(C)(O)[C@@H]1CCCN1C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is CLMJJHMZGOPUTJ-LURJTMIESA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-8(2,15)6-4-3-5-13(6)7(14)9(10,11)12/h6,15H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of 2,2,2-trifluoro-1-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone?
2,2,2-trifluoro-1-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 225.21 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 58781362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).