2,2,2-trifluoro-1-(4-hydroxy-2-methylpyrrolidin-1-yl)ethanone

C7H10F3NO2 — CID 123475695

IUPAC2,2,2-trifluoro-1-(4-hydroxy-2-methylpyrrolidin-1-yl)ethanone
SMILESCC1CC(O)CN1C(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-4-2-5(12)3-11(4)6(13)7(8,9)10/h4-5,12H,2-3H2,1H3
InChIKeyLAPRLYGEBFKKSQ-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.53
Rot. Bonds

About 2,2,2-trifluoro-1-(4-hydroxy-2-methylpyrrolidin-1-yl)ethanone

2,2,2-trifluoro-1-(4-hydroxy-2-methylpyrrolidin-1-yl)ethanone (PubChem CID 123475695) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-hydroxy-2-methylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-hydroxy-2-methylpyrrolidin-1-yl)ethanone
PubChem CID123475695
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name2,2,2-trifluoro-1-(4-hydroxy-2-methylpyrrolidin-1-yl)ethanone
SMILESCC1CC(O)CN1C(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-4-2-5(12)3-11(4)6(13)7(8,9)10/h4-5,12H,2-3H2,1H3
InChIKeyLAPRLYGEBFKKSQ-UHFFFAOYSA-N
XLogP0.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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

(2R)-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid
CID 53837558
4-Hydroxy-n-acetylprolinol
CID 68487058
(S)-2,2,2-Trifluoro-1-(2-(hydroxymethyl)pyrrolidin-1-yl)ethanone
CID 18660144
1-(3,4-Dihydroxypyrrolidin-1-yl)-2,2,2-trifluoroethanone
CID 21103637
2,2,2-Trifluoro-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethan-1-one
CID 21964114
1-(cis-3,4-Dihydroxy-pyrrolidin-1-yl)-2,2,2-trifluoro-ethanone
CID 58865590
2,2,2-trifluoro-1-[(2R)-3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 59089286
2,2,2-trifluoro-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 59097604
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
2-Hydroxy-1-(2-(trifluoromethyl)pyrrolidin-1-yl)ethanone
CID 66797517

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-hydroxy-2-methylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(4-hydroxy-2-methylpyrrolidin-1-yl)ethanone (CID 123475695) is 2,2,2-trifluoro-1-(4-hydroxy-2-methylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-hydroxy-2-methylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(4-hydroxy-2-methylpyrrolidin-1-yl)ethanone is CC1CC(O)CN1C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(4-hydroxy-2-methylpyrrolidin-1-yl)ethanone?
The InChIKey is LAPRLYGEBFKKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-4-2-5(12)3-11(4)6(13)7(8,9)10/h4-5,12H,2-3H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(4-hydroxy-2-methylpyrrolidin-1-yl)ethanone?
2,2,2-trifluoro-1-(4-hydroxy-2-methylpyrrolidin-1-yl)ethanone has a molecular weight of 197.16 g/mol, XLogP of 0.53, 0 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-(4-hydroxy-2-methylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 123475695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).