Basic information
- CAS
280571-66-6- Standard SMILES
O=C(C=C(O)c1ncn[nH]1)c1ccc(Cc2ccc(F)cc2F)o1- InChIKey
RDPALXZQCQMNPJ-UHFFFAOYSA-N- Molecular formula
- C16H11F2N3O3
- Average molar mass
- 331.27 g/mol
- Monoisotopic mass
- 331.07684755
Names & identifiers
- Preferred name
- 2-Propen-1-one, 1-(5-((2,4-difluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)-
- IUPAC
- 1-[5-[(2,4-difluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one
Names & synonyms
280571-66-62-Propen-1-one, 1-(5-((2,4-difluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)-2-Propen-1-one, 1-[5-[(2,4-difluorophenyl)methyl]-2-furanyl]-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)-SCHEMBL5899388DTXSID10950749(Z)-1-[5-[(2,4-difluorophenyl)methyl]-2-furyl]-3-hydroxy-3-(4H-1,2,4-triazol-3-yl)prop-2-en-1-one1-{5-[(2,4-DIFLUOROPHENYL)METHYL]FURAN-2-YL}-3-HYDROXY-3-(1H-1,2,4-TRIAZOL-3-YL)PROP-2-EN-1-ONE
Database identifiers
- CAS
280571-66-6- PubChem CID
- 489199
- DTXSID
DTXSID10950749
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 491
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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