5-(Trifluoromethyl)-1,7-phenanthroline
Basic information
- CAS
59718-31-9- Standard SMILES
FC(F)(F)c1cc2ncccc2c2ncccc12- InChIKey
IBUSWDRPPXDJFZ-UHFFFAOYSA-N- Molecular formula
- C13H7F3N2
- Average molar mass
- 248.2 g/mol
- Monoisotopic mass
- 248.05613272
Names & identifiers
- Preferred name
- 5-(Trifluoromethyl)-1,7-phenanthroline
- IUPAC
- 5-(trifluoromethyl)-1,7-phenanthroline
Names & synonyms
5-(trifluoromethyl)-1,7-phenanthroline59718-31-9NSC282193SCHEMBL27964544DTXSID90314380IBUSWDRPPXDJFZ-UHFFFAOYSA-NNSC-282193
Database identifiers
- CAS
59718-31-9- PubChem CID
- 323283
- DTXSID
DTXSID90314380
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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