2-(3-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone

C18H17F2NO — CID 50747082

IUPAC2-(3-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C18H17F2NO/c19-15-8-6-14(7-9-15)17-5-2-10-21(17)18(22)12-13-3-1-4-16(20)11-13/h1,3-4,6-9,11,17H,2,5,10,12H2
InChIKeyCMGBELYYEXMNRN-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.87
Rot. Bonds3

About 2-(3-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone

2-(3-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone (PubChem CID 50747082) has the molecular formula C18H17F2NO and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone
PubChem CID50747082
Molecular FormulaC18H17F2NO
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name2-(3-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C18H17F2NO/c19-15-8-6-14(7-9-15)17-5-2-10-21(17)18(22)12-13-3-1-4-16(20)11-13/h1,3-4,6-9,11,17H,2,5,10,12H2
InChIKeyCMGBELYYEXMNRN-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

1-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 94080637
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 75841513
2-(3-fluorophenyl)-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 94627618
2-(3-fluorophenyl)-1-[(2R)-2-piperidin-4-ylpyrrolidin-1-yl]ethanone
CID 93394778
2-(3-fluorophenyl)-1-(2-piperidin-4-ylpyrrolidin-1-yl)ethanone
CID 60979358
2-(3-fluorophenyl)-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 110750388
(3-fluorophenyl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747006
2-(3-fluorophenyl)-1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129427864
1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 50746973
5-[1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 110259110
1-[2-(3-fluorophenyl)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107069665
1-[2-(2-chloroethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 63393969

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone (CID 50747082) is 2-(3-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone is O=C(Cc1cccc(F)c1)N1CCCC1c1ccc(F)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is CMGBELYYEXMNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO/c19-15-8-6-14(7-9-15)17-5-2-10-21(17)18(22)12-13-3-1-4-16(20)11-13/h1,3-4,6-9,11,17H,2,5,10,12H2.
What are the key properties of 2-(3-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[2-(4-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-(3-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 50747082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).