1-[(3S)-3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone

C19H17F4NO2 — CID 97259620

IUPAC1-[(3S)-3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1cccc(C(F)(F)F)c1)N1CC[C@](O)(c2ccc(F)cc2)C1
InChIInChI=1S/C19H17F4NO2/c20-16-6-4-14(5-7-16)18(26)8-9-24(12-18)17(25)11-13-2-1-3-15(10-13)19(21,22)23/h1-7,10,26H,8-9,11-12H2/t18-/m1/s1
InChIKeyLSKCPCYERNBTQU-GOSISDBHSA-N
MW367.34 g/mol
LogP3.51
Rot. Bonds3

About 1-[(3S)-3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone

1-[(3S)-3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 97259620) has the molecular formula C19H17F4NO2 and a molecular weight of 367.34 g/mol. Its IUPAC name is 1-[(3S)-3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID97259620
Molecular FormulaC19H17F4NO2
Molecular Weight367.34 g/mol
Exact Mass367.12
IUPAC Name1-[(3S)-3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1cccc(C(F)(F)F)c1)N1CC[C@](O)(c2ccc(F)cc2)C1
InChIInChI=1S/C19H17F4NO2/c20-16-6-4-14(5-7-16)18(26)8-9-24(12-18)17(25)11-13-2-1-3-15(10-13)19(21,22)23/h1-7,10,26H,8-9,11-12H2/t18-/m1/s1
InChIKeyLSKCPCYERNBTQU-GOSISDBHSA-N
XLogP3.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3S)-3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone with MolForge

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Related Compounds

2-(3-fluorophenyl)-1-(3-hydroxy-3-phenylpyrrolidin-1-yl)ethanone
CID 91777042
(5S)-7-methyl-2-[2-[3-(trifluoromethyl)phenyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97113122
1-(4-acetyl-1,4-diazepan-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 134061591
1-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 78768057
[[1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidin-4-ylidene]amino] 2-(4-fluorophenyl)acetate
CID 58378614
1-[4-(2-methylphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 112766387
5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 131943491
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 2597909
1-(3-aminopyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 119482994
[[1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidin-4-ylidene]amino] N-(4-fluorophenyl)carbamate
CID 87367729
5-methyl-5-[1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45248339
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 78087863

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[(3S)-3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone (CID 97259620) is 1-[(3S)-3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[(3S)-3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[(3S)-3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone is O=C(Cc1cccc(C(F)(F)F)c1)N1CC[C@](O)(c2ccc(F)cc2)C1.
What is the InChIKey of 1-[(3S)-3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is LSKCPCYERNBTQU-GOSISDBHSA-N. The full InChI is InChI=1S/C19H17F4NO2/c20-16-6-4-14(5-7-16)18(26)8-9-24(12-18)17(25)11-13-2-1-3-15(10-13)19(21,22)23/h1-7,10,26H,8-9,11-12H2/t18-/m1/s1.
What are the key properties of 1-[(3S)-3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone?
1-[(3S)-3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 367.34 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 97259620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).