Ethanone, 1-(4-amino-5-(3-fluorophenyl)-2-methyl-1H-pyrrol-3-yl)-
Basic information
- CAS
91480-89-6- Standard SMILES
CC(=O)c1c(C)[nH]c(-c2cccc(F)c2)c1N- InChIKey
OFEMZJWJGIVOLU-UHFFFAOYSA-N- Molecular formula
- C13H13FN2O
- Average molar mass
- 232.25 g/mol
- Monoisotopic mass
- 232.1011912
Names & identifiers
- Preferred name
- Ethanone, 1-(4-amino-5-(3-fluorophenyl)-2-methyl-1H-pyrrol-3-yl)-
- IUPAC
- 1-[4-amino-5-(3-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
- English name
- 1-[4-Amino-5-(3-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
- Molecular formula
- C13H13FN2O
- Molecular weight
- 232.2535232
Names & synonyms
91480-89-6ETHANONE, 1-(4-AMINO-5-(3-FLUOROPHENYL)-2-METHYL-1H-PYRROL-3-YL)-1-(4-Amino-5-(3-fluorophenyl)-2-methyl-1H-pyrrol-3-yl)ethanoneDTXSID80238581Ketone, (4-amino-5-(m-fluorophenyl)-2-methylpyrrol-3-yl) methylRefChem:341197DTXCID301610721-[4-amino-5-(3-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]ethan-1-one1-[4-Amino-5-(3-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
Database identifiers
- CAS
91480-89-6- PubChem CID
- 56244
- DTXSID
DTXSID80238581- Nikkaji
- J61.513G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Density
- 1.19 · 1.1900 (estimate)
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