Basic information
- CAS
77767-16-9- Standard SMILES
FC(F)(F)c1ccc(N2COCN(c3ccc(C(F)(F)F)cc3)COC2)cc1- InChIKey
UBIWNRIKGVTTKH-UHFFFAOYSA-N- Molecular formula
- C18H16F6N2O2
- Average molar mass
- 406.3 g/mol
- Monoisotopic mass
- 406.11159673
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3,7-Bis-(4-trifluoromethylphenyl)-1,5,3,7-dioxadiazocane
- IUPAC
- 3,7-bis[4-(trifluoromethyl)phenyl]-1,5,3,7-dioxadiazocane
- English name
- 3,7-bis-(4-trifluoromethylphenyl)-1,5,3,7-dioxadiazocane
- Molecular weight
- 0
Names & synonyms
77767-16-93,7-Bis-(4-trifluoromethylphenyl)-1,5,3,7-dioxadiazocaneDTXSID40228382TFMPDRefChem:91841DTXCID601508733,7-bis[4-(trifluoromethyl)phenyl]-1,5,3,7-dioxadiazocaneBRN 4583147Tetrahydro-3,7-bis(4-(trifluoromethyl)phenyl)-2H,6H-1,5,3,7-dioxadiazocineSCHEMBL27918987UBIWNRIKGVTTKH-UHFFFAOYSA-N2H,6H-1,5,3,7-Dioxadiazocine, tetrahydro-3,7-bis(4-(trifluoromethyl)phenyl)-
Database identifiers
- CAS
77767-16-9- PubChem CID
- 132467
- DTXSID
DTXSID40228382- Nikkaji
- J562.459B
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 24.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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