Basic information
- CAS
42268-97-3- Standard SMILES
O=C(N(CCO)CCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
NOBCKVRTJFZOFF-UHFFFAOYSA-N- Molecular formula
- C12H10F15NO3
- Average molar mass
- 501.19 g/mol
- Monoisotopic mass
- 501.0421156
Names & identifiers
- Preferred name
- Perfluorooctanoic acid diethanolamide
- IUPAC
- 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N,N-bis(2-hydroxyethyl)octanamide
Names & synonyms
Perfluorooctanoic acid diethanolamide42268-97-32,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N,N-bis(2-hydroxyethyl)octanamideSCHEMBL6039884DTXSID30195099NOBCKVRTJFZOFF-UHFFFAOYSA-N
Database identifiers
- CAS
42268-97-3- PubChem CID
- 39168
- DTXSID
DTXSID30195099- Nikkaji
- J1.618.203F
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 640
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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