Basic information
- CAS
116777-93-6- Standard SMILES
O=C(Nc1ccc([N+](=O)[O-])cc1Br)C1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)F- InChIKey
CEWLJTFRQZGJGH-UHFFFAOYSA-N- Molecular formula
- C13H4BrF11N2O3
- Average molar mass
- 525.07 g/mol
- Monoisotopic mass
- 523.92296
Names & identifiers
- Preferred name
- N-(2-Bromo-4-nitrophenyl)-1,2,2,3,3,4,4,5-octafluoro-6-trifluoromethylcyclohexanecarboxamide
- IUPAC
- N-(2-bromo-4-nitrophenyl)-1,2,2,3,3,4,4,5-octafluoro-5-(trifluoromethyl)cyclopentane-1-carboxamide
Names & synonyms
DTXSID201343639N-(2-Bromo-4-nitrophenyl)-1,2,2,3,3,4,4,5-octafluoro-6-trifluoromethylcyclohexanecarboxamide116777-93-6
Database identifiers
- CAS
116777-93-6- PubChem CID
- 14064591
- DTXSID
DTXSID201343639
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 743
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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