Basic information
- Standard SMILES
O=C(Nc1ccc(Cc2nn[nH]n2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
LXEPDQZADAHTDG-UHFFFAOYSA-N- Molecular formula
- C15H8F13N5O
- Average molar mass
- 521.24 g/mol
- Monoisotopic mass
- 521.052126
Names & identifiers
- Preferred name
- N-[4-[(2H-Tetrazol-5-yl)methyl]phenyl]perfluoroheptanamide
- IUPAC
- 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]heptanamide
Names & synonyms
CHEMBL173661DTXSID301348787N-[4-[(2H-Tetrazol-5-yl)methyl]phenyl]perfluoroheptanamide
Database identifiers
- PubChem CID
- 14394251
- DTXSID
DTXSID301348787- ChEMBL
CHEMBL173661- Nikkaji
- J467.504E
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 737
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…