2-cyclopropyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one

C17H20F3NO2 — CID 167765510

IUPAC2-cyclopropyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(C(Cc1ccccc1)C1CC1)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C17H20F3NO2/c18-17(19,20)16(23)8-9-21(11-16)15(22)14(13-6-7-13)10-12-4-2-1-3-5-12/h1-5,13-14,23H,6-11H2
InChIKeyAAMCBRCYWTZERM-UHFFFAOYSA-N
MW327.35 g/mol
LogP2.78
Rot. Bonds4

About 2-cyclopropyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one

2-cyclopropyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one (PubChem CID 167765510) has the molecular formula C17H20F3NO2 and a molecular weight of 327.35 g/mol. Its IUPAC name is 2-cyclopropyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name2-cyclopropyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
PubChem CID167765510
Molecular FormulaC17H20F3NO2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name2-cyclopropyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(C(Cc1ccccc1)C1CC1)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C17H20F3NO2/c18-17(19,20)16(23)8-9-21(11-16)15(22)14(13-6-7-13)10-12-4-2-1-3-5-12/h1-5,13-14,23H,6-11H2
InChIKeyAAMCBRCYWTZERM-UHFFFAOYSA-N
XLogP2.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
CID 68965543
2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 119333395
3-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 119333364
[(3S)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 125118534
3-(2-aminophenyl)-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 120611230
(2S)-2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119800798
2-(1-benzyl-4-hydroxypiperidin-4-yl)-2,2-difluoroacetic acid
CID 62399064
3-phenyl-2-sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 107031432
3-(2-fluorophenoxy)-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 71984038
2-amino-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120793643
1-(3-hydroxy-3-methylpiperidin-1-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107036046
(2S)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-phenylpropan-1-one
CID 107218805

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 2-cyclopropyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one (CID 167765510) is 2-cyclopropyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 2-cyclopropyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 2-cyclopropyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one is O=C(C(Cc1ccccc1)C1CC1)N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 2-cyclopropyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is AAMCBRCYWTZERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO2/c18-17(19,20)16(23)8-9-21(11-16)15(22)14(13-6-7-13)10-12-4-2-1-3-5-12/h1-5,13-14,23H,6-11H2.
What are the key properties of 2-cyclopropyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one?
2-cyclopropyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 327.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 167765510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).