Basic information
- Standard SMILES
CC1(O)OC(=O)C(c2c(F)cccc2F)=C1c1ccccc1- InChIKey
HTNRHEOZKVFUHF-UHFFFAOYSA-N- Molecular formula
- C17H12F2O3
- Average molar mass
- 302.27 g/mol
- Monoisotopic mass
- 302.07545056
Names & identifiers
- Preferred name
- 3-(2,6-difluorophenyl)-5-hydroxy-5-methyl-4-phenyl-2(5H)-furanone
- IUPAC
- 3-(2,6-difluorophenyl)-5-hydroxy-5-methyl-4-phenylfuran-2-one
Names & synonyms
SCHEMBL10015964HTNRHEOZKVFUHF-UHFFFAOYSA-N3-(2,6-difluorophenyl)-5-hydroxy-5-methyl-4-phenyl-2 (5H)-furanone3-(2,6-difluorophenyl)-5-hydroxy-5-methyl-4-phenyl-2(5H)-furanone
Database identifiers
- PubChem CID
- 68010053
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 474
Related reactions
2 records
Compound notes
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