2-[1-Fluoro-1,1-bis[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]tetrazole
Basic information
- CAS
105529-60-0- Standard SMILES
CC(n1ncnn1)C(F)(c1ccc(OC(F)(F)F)c(F)c1)c1ccc(OC(F)(F)F)c(F)c1- InChIKey
PIAYQOBQPSLNKF-UHFFFAOYSA-N- Molecular formula
- C18H11F9N4O2
- Average molar mass
- 486.3 g/mol
- Monoisotopic mass
- 486.07382907
Names & identifiers
- Preferred name
- 2-[1-Fluoro-1,1-bis[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]tetrazole
- IUPAC
- 2-[1-fluoro-1,1-bis[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]tetrazole
Names & synonyms
SCHEMBL10565760PIAYQOBQPSLNKF-UHFFFAOYSA-NDTXSID2011288532-[1-fluoro-1,1-bis[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]tetrazole105529-60-02-[2-Fluoro-2,2-bis[3-fluoro-4-(trifluoromethoxy)phenyl]-1-methylethyl]-2H-tetrazole2-{1-Fluoro-1,1-bis[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl}-2H-tetrazole
Database identifiers
- CAS
105529-60-0- PubChem CID
- 20043658
- DTXSID
DTXSID201128853
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 613
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…