1-[5-fluoro-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanone

C18H18FNO — CID 62132108

IUPAC1-[5-fluoro-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1N1CCC(c2ccccc2)C1
InChIInChI=1S/C18H18FNO/c1-13(21)17-11-16(19)7-8-18(17)20-10-9-15(12-20)14-5-3-2-4-6-14/h2-8,11,15H,9-10,12H2,1H3
InChIKeyWNUXDVSEJQKTOL-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.02
Rot. Bonds3

About 1-[5-fluoro-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanone

1-[5-fluoro-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanone (PubChem CID 62132108) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-[5-fluoro-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanone
PubChem CID62132108
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name1-[5-fluoro-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1N1CCC(c2ccccc2)C1
InChIInChI=1S/C18H18FNO/c1-13(21)17-11-16(19)7-8-18(17)20-10-9-15(12-20)14-5-3-2-4-6-14/h2-8,11,15H,9-10,12H2,1H3
InChIKeyWNUXDVSEJQKTOL-UHFFFAOYSA-N
XLogP4.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanone
CID 61226990
1-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-fluorophenyl]ethanone
CID 63150976
1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanone
CID 43216546
5-amino-2-(3-phenylpyrrolidin-1-yl)benzamide
CID 62131789
1-[5-fluoro-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]ethanone
CID 81200280
1-[5-fluoro-2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone
CID 175171832
1-[5-fluoro-2-(4-methylsulfanylazepan-1-yl)phenyl]ethanone
CID 114237162
(2-bromo-5-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone
CID 62070029
5-fluoro-2-(4-methylpiperidin-1-yl)benzoic acid
CID 43312941
1-[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanone
CID 54976767
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]ethanone
CID 43581566
5-[(4-bromobenzoyl)amino]-2-[(3R)-3-phenylpyrrolidin-1-yl]benzoic acid
CID 93070134

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[5-fluoro-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanone (CID 62132108) is 1-[5-fluoro-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[5-fluoro-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[5-fluoro-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanone is CC(=O)c1cc(F)ccc1N1CCC(c2ccccc2)C1.
What is the InChIKey of 1-[5-fluoro-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanone?
The InChIKey is WNUXDVSEJQKTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-13(21)17-11-16(19)7-8-18(17)20-10-9-15(12-20)14-5-3-2-4-6-14/h2-8,11,15H,9-10,12H2,1H3.
What are the key properties of 1-[5-fluoro-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanone?
1-[5-fluoro-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanone has a molecular weight of 283.35 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanone is sourced from PubChem (CID 62132108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).