2-(3-fluorophenyl)-1-(3-hydroxy-3-phenylpyrrolidin-1-yl)ethanone

C18H18FNO2 — CID 91777042

IUPAC2-(3-fluorophenyl)-1-(3-hydroxy-3-phenylpyrrolidin-1-yl)ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCC(O)(c2ccccc2)C1
InChIInChI=1S/C18H18FNO2/c19-16-8-4-5-14(11-16)12-17(21)20-10-9-18(22,13-20)15-6-2-1-3-7-15/h1-8,11,22H,9-10,12-13H2
InChIKeyLGMYREFPPAONMZ-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.49
Rot. Bonds3

About 2-(3-fluorophenyl)-1-(3-hydroxy-3-phenylpyrrolidin-1-yl)ethanone

2-(3-fluorophenyl)-1-(3-hydroxy-3-phenylpyrrolidin-1-yl)ethanone (PubChem CID 91777042) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(3-hydroxy-3-phenylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(3-hydroxy-3-phenylpyrrolidin-1-yl)ethanone
PubChem CID91777042
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name2-(3-fluorophenyl)-1-(3-hydroxy-3-phenylpyrrolidin-1-yl)ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCC(O)(c2ccccc2)C1
InChIInChI=1S/C18H18FNO2/c19-16-8-4-5-14(11-16)12-17(21)20-10-9-18(22,13-20)15-6-2-1-3-7-15/h1-8,11,22H,9-10,12-13H2
InChIKeyLGMYREFPPAONMZ-UHFFFAOYSA-N
XLogP2.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 97259620
(3S)-1-[2-(3-fluorophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 129485444
1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119250956
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817138
benzyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 14127359
2-(3-fluorophenyl)-1-(1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 110203850
3-(3-fluorophenyl)-1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110670217
3-[2-(3-hydroxy-3-phenylpyrrolidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 90653397
2-(3-fluorophenyl)-1-(9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-2-yl)ethanone
CID 131653455
1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113081269
1-[4-(2-aminoacetyl)-1,4-diazepan-1-yl]-2-(3-fluorophenyl)ethanone
CID 119306834
1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 22240695

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(3-hydroxy-3-phenylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-(3-hydroxy-3-phenylpyrrolidin-1-yl)ethanone (CID 91777042) is 2-(3-fluorophenyl)-1-(3-hydroxy-3-phenylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(3-hydroxy-3-phenylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-(3-hydroxy-3-phenylpyrrolidin-1-yl)ethanone is O=C(Cc1cccc(F)c1)N1CCC(O)(c2ccccc2)C1.
What is the InChIKey of 2-(3-fluorophenyl)-1-(3-hydroxy-3-phenylpyrrolidin-1-yl)ethanone?
The InChIKey is LGMYREFPPAONMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c19-16-8-4-5-14(11-16)12-17(21)20-10-9-18(22,13-20)15-6-2-1-3-7-15/h1-8,11,22H,9-10,12-13H2.
What are the key properties of 2-(3-fluorophenyl)-1-(3-hydroxy-3-phenylpyrrolidin-1-yl)ethanone?
2-(3-fluorophenyl)-1-(3-hydroxy-3-phenylpyrrolidin-1-yl)ethanone has a molecular weight of 299.35 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(3-hydroxy-3-phenylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 91777042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).