2-(2-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone

C18H17F2NO — CID 50746983

IUPAC2-(2-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1F)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C18H17F2NO/c19-15-7-3-6-14(11-15)17-9-4-10-21(17)18(22)12-13-5-1-2-8-16(13)20/h1-3,5-8,11,17H,4,9-10,12H2
InChIKeyXJZAYAJSXXWQRZ-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.87
Rot. Bonds3

About 2-(2-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone

2-(2-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone (PubChem CID 50746983) has the molecular formula C18H17F2NO and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone
PubChem CID50746983
Molecular FormulaC18H17F2NO
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name2-(2-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1F)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C18H17F2NO/c19-15-7-3-6-14(11-15)17-9-4-10-21(17)18(22)12-13-5-1-2-8-16(13)20/h1-3,5-8,11,17H,4,9-10,12H2
InChIKeyXJZAYAJSXXWQRZ-UHFFFAOYSA-N
XLogP3.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Brl-52656
CID 9865223
1,5-Dimethyl-3,3-diphenylpyrrolidin-2-one
CID 207584
N-{[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl}benzamide
CID 5494422
(1S)-1-Cyclopropyl-2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-YL]-2-oxoethanamine
CID 6102824
1-(2,6-Difluorobenzoyl)pyrrolidine
CID 588246
N,N-dicyclohexyl-2,6-difluorobenzamide
CID 875986
4,5,6,7-tetrafluoro-2-[(1S)-1-phenylethyl]-2,3-dihydro-1H-isoindole-1,3-dione
CID 9883659
(4-Benzylpiperidin-1-yl)(2-fluorophenyl)methanone
CID 667749
(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-benzylpyrrolidine-2-carboxamide
CID 10178009
3-Benzyl-1-cyclohexylpyrrolidin-2-one
CID 11673314
1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]-2,2-dimethylpropan-1-one
CID 24901489
Ksp-IA
CID 24901494

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone (CID 50746983) is 2-(2-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone is O=C(Cc1ccccc1F)N1CCCC1c1cccc(F)c1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is XJZAYAJSXXWQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO/c19-15-7-3-6-14(11-15)17-9-4-10-21(17)18(22)12-13-5-1-2-8-16(13)20/h1-3,5-8,11,17H,4,9-10,12H2.
What are the key properties of 2-(2-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone?
2-(2-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 301.34 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 50746983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).