Basic information
- CAS
315237-99-1- Standard SMILES
O=C(Nc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
KPLDLSBCKNWOPA-UHFFFAOYSA-N- Molecular formula
- C13H6F13NO
- Average molar mass
- 439.17 g/mol
- Monoisotopic mass
- 439.0241799
Names & identifiers
- Preferred name
- Heptanamide, 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-phenyl-
- IUPAC
- 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-phenylheptanamide
Names & synonyms
315237-99-1Heptanamide, 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-phenyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-phenylheptanamideDTXSID60393723AKOS003619391
Database identifiers
- CAS
315237-99-1- PubChem CID
- 3566751
- DTXSID
DTXSID60393723- Nikkaji
- J3.014.778B
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 577
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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