Basic information
- CAS
51053-31-7- Standard SMILES
C=CC(=O)OC(F)(F)C(F)(F)CC(F)(F)F- InChIKey
VWYCVZXPYHGXNI-UHFFFAOYSA-N- Molecular formula
- C7H5F7O2
- Average molar mass
- 254.1 g/mol
- Monoisotopic mass
- 254.01777653
Names & identifiers
- Preferred name
- 1,1,2,2,4,4,4-Heptafluorobutyl prop-2-enoate
- IUPAC
- 1,1,2,2,4,4,4-heptafluorobutyl prop-2-enoate
Names & synonyms
1,1,2,2,4,4,4-Heptafluorobutyl prop-2-enoate51053-31-72-propenoic acid 1,1,2,2,4,4,4-heptafluorobutyl esterSCHEMBL42442DTXSID30694976
Database identifiers
- CAS
51053-31-7- PubChem CID
- 53402001
- DTXSID
DTXSID30694976
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…