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

C13H16FNO — CID 61226990

IUPAC1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1N1CCC(C)C1
InChIInChI=1S/C13H16FNO/c1-9-5-6-15(8-9)13-4-3-11(14)7-12(13)10(2)16/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyZANGAVRZILXPSW-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.87
Rot. Bonds2

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

1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanone (PubChem CID 61226990) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanone
PubChem CID61226990
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1N1CCC(C)C1
InChIInChI=1S/C13H16FNO/c1-9-5-6-15(8-9)13-4-3-11(14)7-12(13)10(2)16/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyZANGAVRZILXPSW-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-(4-methylpiperidin-1-yl)benzoic acid
CID 43312941
1-[5-fluoro-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanone
CID 62132108
1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanone
CID 43216546
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-[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-methylsulfanylazepan-1-yl)phenyl]ethanone
CID 114237162
1-[5-bromo-2-(3-methylpiperidin-1-yl)phenyl]ethanone
CID 82966788
1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanol
CID 61226994
1-[5-fluoro-2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone
CID 175171832
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
3-[3-methyl-4-(3-methylpyrrolidin-1-yl)phenyl]prop-2-enoic acid
CID 76936142

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanone (CID 61226990) is 1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanone is CC(=O)c1cc(F)ccc1N1CCC(C)C1.
What is the InChIKey of 1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanone?
The InChIKey is ZANGAVRZILXPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-9-5-6-15(8-9)13-4-3-11(14)7-12(13)10(2)16/h3-4,7,9H,5-6,8H2,1-2H3.
What are the key properties of 1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanone?
1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanone has a molecular weight of 221.28 g/mol, XLogP of 2.87, 2 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-methylpyrrolidin-1-yl)phenyl]ethanone is sourced from PubChem (CID 61226990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).