3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-Tetracosafluoro-13-(trifluoromethyl)tetradecyl acrylate
Basic information
- CAS
52956-82-8- Standard SMILES
C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F- InChIKey
YVLOLDWQUHHGGU-UHFFFAOYSA-N- Molecular formula
- C18H7F27O2
- Average molar mass
- 768.2 g/mol
- Monoisotopic mass
- 768.0014898
Names & identifiers
- Preferred name
- 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-Tetracosafluoro-13-(trifluoromethyl)tetradecyl acrylate
- IUPAC
- [3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-tetracosafluoro-13-(trifluoromethyl)tetradecyl] prop-2-enoate
Names & synonyms
52956-82-83,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-Tetracosafluoro-13-(trifluoromethyl)tetradecyl acrylate2-(Perfluoro-11-methyldodecyl)ethyl propenoateDTXSID10880456RefChem:485148258-277-03,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-Tetracosafluoro-13-(trifluoromethyl)tetradecyl 2-propenoateEINECS 258-277-0YVLOLDWQUHHGGU-UHFFFAOYSA-N3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-TETRACOSAFLUORO-13-(TRIFLUOROMETHYL)TETRADECYL PROP-2-ENOATENS00010999
Database identifiers
- CAS
52956-82-8- PubChem CID
- 104368
- DTXSID
DTXSID10880456- EC Number
- 258-277-0
- Nikkaji
- J295.845G
Properties
Computed structural properties
- XLogP
- 10.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 29
- Rotatable bonds
- 15
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,140
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationSubstance: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-tetracosafluoro-13-(trifluoromethyl)tetradecyl acrylate
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
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Related reactions
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Compound notes
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