Basic information
- Standard SMILES
FC(F)(F)c1ccc(-c2cc3nc(C(F)(F)C(F)(F)C(F)(F)F)[nH]c3cc2Cl)cc1- InChIKey
IAGQBHSWYWFHEI-UHFFFAOYSA-N- Molecular formula
- C17H7ClF10N2
- Average molar mass
- 464.7 g/mol
- Monoisotopic mass
- 464.0138075
Names & identifiers
- Preferred name
- 5-chloro-2-(heptafluoropropyl)-6-[4-(trifluoromethyl)phenyl]-1H-1,3-benzodiazole
- IUPAC
- 6-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-5-[4-(trifluoromethyl)phenyl]-1H-benzimidazole
Names & synonyms
5-chloro-2-(heptafluoropropyl)-6-[4-(trifluoromethyl)phenyl]-1H-1,3-benzodiazoleSCHEMBL15329677DTXSID201027099
Database identifiers
- PubChem CID
- 86699566
- DTXSID
DTXSID201027099
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 615
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…