Basic information
- CAS
305849-13-2- Standard SMILES
O=C(Nc1ccccc1)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)F- InChIKey
BVOVIJBDEFICAD-UHFFFAOYSA-N- Molecular formula
- C19H10F21NO2
- Average molar mass
- 683.3 g/mol
- Monoisotopic mass
- 683.03762
Names & identifiers
- Preferred name
- 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Henicosafluorododecyl phenylcarbamate
- IUPAC
- 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl N-phenylcarbamate
Names & synonyms
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl phenylcarbamate305849-13-2DTXSID80896185RefChem:270048DTXCID1013256783,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl N-phenylcarbamateAKOS024422873NS00111796
Database identifiers
- CAS
305849-13-2- PubChem CID
- 3697949
- DTXSID
DTXSID80896185- Nikkaji
- J2.538.740F
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 23
- Rotatable bonds
- 13
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 983
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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