Basic information
- Standard SMILES
COC(=O)/C=C/c1ccc(C(F)(F)Oc2ccc(OCCCC(F)(F)F)cc2)cc1- InChIKey
FGVBCOGQDZWPTP-LFYBBSHMSA-N- Molecular formula
- C21H19F5O4
- Average molar mass
- 430.4 g/mol
- Monoisotopic mass
- 430.12034989
Names & identifiers
- Preferred name
- methyl (2E)-3-(4-{difluoro[4-(4,4,4-trifluorobutoxy)phenoxy]methyl}-phenyl)prop-2-enoate
- IUPAC
- methyl (E)-3-[4-[difluoro-[4-(4,4,4-trifluorobutoxy)phenoxy]methyl]phenyl]prop-2-enoate
Names & synonyms
methyl (2E)-3-(4-{difluoro[4-(4,4,4-trifluorobutoxy)phenoxy]methyl}-phenyl)prop-2-enoatemethyl (2E)-3-(4-{difluoro[4-(4,4,4-trifluorobutoxy)phenoxy]-methyl}-phenyl)prop-2-enoate
Database identifiers
- PubChem CID
- 86676558
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 548
Related reactions
2 records
Compound notes
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