33,33,34,34,35,35,36,36,37,37,38,38,39,39,40,40,41,42,42,42-Icosafluoro-41-(trifluoromethyl)-2,5,8,11,14,17,20,23,26,29-decaoxodotetracontan-31-ol
Basic information
- CAS
93776-10-4- Standard SMILES
CC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CC(O)CC(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
NFDIWGSYOGEYNO-UHFFFAOYSA-N- Molecular formula
- C43H45F23O11
- Average molar mass
- 1,174.8 g/mol
- Monoisotopic mass
- 1,174.25946
Names & identifiers
- Preferred name
- 33,33,34,34,35,35,36,36,37,37,38,38,39,39,40,40,41,42,42,42-Icosafluoro-41-(trifluoromethyl)-2,5,8,11,14,17,20,23,26,29-decaoxodotetracontan-31-ol
- IUPAC
- 33,33,34,34,35,35,36,36,37,37,38,38,39,39,40,40,41,42,42,42-icosafluoro-31-hydroxy-41-(trifluoromethyl)dotetracontane-2,5,8,11,14,17,20,23,26,29-decone
Names & synonyms
EINECS 297-936-793776-10-433,33,34,34,35,35,36,36,37,37,38,38,39,39,40,40,41,42,42,42-Icosafluoro-41-(trifluoromethyl)-2,5,8,11,14,17,20,23,26,29-decaoxodotetracontan-31-ol32-(Perfluoro-9-methyldecyl)-2,5,8,11,14,17,20,23,26,29-decaoxodotriacontan-31-ol33,33,34,34,35,35,36,36,37,37,38,38,39,39,40,40,41,42,42,42-icosafluoro-31-hydroxy-41-(trifluoromethyl)dotetracontane-2,5,8,11,14,17,20,23,26,29-deconeDTXSID90881027NS00010946
Database identifiers
- CAS
93776-10-4- PubChem CID
- 3022239
- DTXSID
DTXSID90881027- EC Number
- 297-936-7
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 34
- Rotatable bonds
- 39
- Heavy atoms
- 77
- Formal charge
- 0
- Complexity
- 2,150
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> OECD Category
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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