1-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(3-phenylcyclobutyl)ethanone

C17H20F3NO2 — CID 124873581

IUPAC1-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(3-phenylcyclobutyl)ethanone
SMILESO=C(CC1CC(c2ccccc2)C1)N1CC[C@](O)(C(F)(F)F)C1
InChIInChI=1S/C17H20F3NO2/c18-17(19,20)16(23)6-7-21(11-16)15(22)10-12-8-14(9-12)13-4-2-1-3-5-13/h1-5,12,14,23H,6-11H2/t12?,14?,16-/m1/s1
InChIKeyCRTZVMXEUXSTJY-LDZOIKDWSA-N
MW327.35 g/mol
LogP3.10
Rot. Bonds3

About 1-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(3-phenylcyclobutyl)ethanone

1-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(3-phenylcyclobutyl)ethanone (PubChem CID 124873581) has the molecular formula C17H20F3NO2 and a molecular weight of 327.35 g/mol. Its IUPAC name is 1-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(3-phenylcyclobutyl)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(3-phenylcyclobutyl)ethanone
PubChem CID124873581
Molecular FormulaC17H20F3NO2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name1-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(3-phenylcyclobutyl)ethanone
SMILESO=C(CC1CC(c2ccccc2)C1)N1CC[C@](O)(C(F)(F)F)C1
InChIInChI=1S/C17H20F3NO2/c18-17(19,20)16(23)6-7-21(11-16)15(22)10-12-8-14(9-12)13-4-2-1-3-5-13/h1-5,12,14,23H,6-11H2/t12?,14?,16-/m1/s1
InChIKeyCRTZVMXEUXSTJY-LDZOIKDWSA-N
XLogP3.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 167765510
3-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 119333364
3-(2-aminophenyl)-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 120611230
3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
CID 68965543
3-(2-fluorophenoxy)-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 71984038
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-phenylcyclohexyl)ethanone
CID 120805459
(1-aminocyclopropyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119800753
1-(3-hydroxypiperidin-1-yl)-2-(4-phenylcyclohexyl)ethanone
CID 111109085
1-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 97017421
[(3S)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 125118534
2-tert-butylsulfonyl-1-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 99698290
N-[4-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-2-carboxamide
CID 97012914

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(3-phenylcyclobutyl)ethanone?
The IUPAC name of 1-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(3-phenylcyclobutyl)ethanone (CID 124873581) is 1-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(3-phenylcyclobutyl)ethanone.
What is the SMILES notation for 1-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(3-phenylcyclobutyl)ethanone?
The canonical SMILES for 1-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(3-phenylcyclobutyl)ethanone is O=C(CC1CC(c2ccccc2)C1)N1CC[C@](O)(C(F)(F)F)C1.
What is the InChIKey of 1-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(3-phenylcyclobutyl)ethanone?
The InChIKey is CRTZVMXEUXSTJY-LDZOIKDWSA-N. The full InChI is InChI=1S/C17H20F3NO2/c18-17(19,20)16(23)6-7-21(11-16)15(22)10-12-8-14(9-12)13-4-2-1-3-5-13/h1-5,12,14,23H,6-11H2/t12?,14?,16-/m1/s1.
What are the key properties of 1-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(3-phenylcyclobutyl)ethanone?
1-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(3-phenylcyclobutyl)ethanone has a molecular weight of 327.35 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(3-phenylcyclobutyl)ethanone is sourced from PubChem (CID 124873581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).