4,4-Bis(trifluoromethyl)-5,5,6,6,7,7,7-heptafluoroheptyl acrylate
Basic information
- CAS
1980085-17-3- Standard SMILES
C=CC(=O)OCCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
GVDAUHCFCTZXEL-UHFFFAOYSA-N- Molecular formula
- C12H9F13O2
- Average molar mass
- 432.18 g/mol
- Monoisotopic mass
- 432.0394956
Names & identifiers
- Preferred name
- 4,4-Bis(trifluoromethyl)-5,5,6,6,7,7,7-heptafluoroheptyl acrylate
- IUPAC
- [5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)heptyl] prop-2-enoate
Names & synonyms
4,4-Bis(trifluoromethyl)-5,5,6,6,7,7,7-heptafluoroheptyl acrylate1980085-17-3746180-23-45,5,6,6,7,7,7-Heptafluoro-4,4-bis(trifluoromethyl)heptyl acrylate[5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)heptyl] prop-2-enoateMFCD283344814,4-Bis(trifluoromethyl)-5,5,6,6,7,7,7-heptafluoroheptylacrylateDTXSID001134644AKOS0376215935,5,6,6,7,7,7-Heptafluoro-4,4-bis(trifluoromethyl)heptyl prop-2-enoate2-Propenoic acid, 5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)heptyl ester
Database identifiers
- CAS
1980085-17-3- PubChem CID
- 99769780
- DTXSID
DTXSID001134644
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 527
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Related reactions
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Compound notes
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