2,2,2-trifluoro-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone

C12H12F3NO2 — CID 171086663

IUPAC2,2,2-trifluoro-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone
SMILESO=C(N1CCCC1c1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)11(18)16-7-1-2-10(16)8-3-5-9(17)6-4-8/h3-6,10,17H,1-2,7H2
InChIKeyMXRZETUSYIJDRI-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.62
Rot. Bonds1

About 2,2,2-trifluoro-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone

2,2,2-trifluoro-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone (PubChem CID 171086663) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone
PubChem CID171086663
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name2,2,2-trifluoro-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone
SMILESO=C(N1CCCC1c1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)11(18)16-7-1-2-10(16)8-3-5-9(17)6-4-8/h3-6,10,17H,1-2,7H2
InChIKeyMXRZETUSYIJDRI-UHFFFAOYSA-N
XLogP2.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]benzenesulfonamide
CID 146570704
N-methyl-4-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]benzenesulfonamide
CID 59466130
2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 140707313
3-[2-(4-hydroxyphenyl)pyrrolidine-1-carbonyl]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 146102912
2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-1-carboxamide
CID 154786220
2-(1-aminocyclobutyl)-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 75495963
2-methoxy-2-methyl-1-(2-phenylpyrrolidin-1-yl)propan-1-one
CID 103029058
bis[2-(4-bromophenyl)pyrrolidin-1-yl]methanone
CID 175308107
1-[2-(4-bromophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 84606143
3-(2,5-difluorophenyl)-1-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 94801020
1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 47828879
pyridin-4-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 110669976

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone (CID 171086663) is 2,2,2-trifluoro-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone is O=C(N1CCCC1c1ccc(O)cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is MXRZETUSYIJDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c13-12(14,15)11(18)16-7-1-2-10(16)8-3-5-9(17)6-4-8/h3-6,10,17H,1-2,7H2.
What are the key properties of 2,2,2-trifluoro-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone?
2,2,2-trifluoro-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 259.23 g/mol, XLogP of 2.62, 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-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 171086663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).