2-(2,2,2-Trifluoro-1-(trifluoromethyl)ethyl)benzoxazole
Basic information
- CAS
68287-85-4- Standard SMILES
FC(F)(F)C(c1nc2ccccc2o1)C(F)(F)F- InChIKey
LOYHVWFHSRAKKN-UHFFFAOYSA-N- Molecular formula
- C10H5F6NO
- Average molar mass
- 269.14 g/mol
- Monoisotopic mass
- 269.02753276
Names & identifiers
- Preferred name
- 2-(2,2,2-Trifluoro-1-(trifluoromethyl)ethyl)benzoxazole
- IUPAC
- 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-benzoxazole
Names & synonyms
68287-85-42-[2,2,2-Trifluoro-1-(trifluoromethyl)ethyl]benzoxazole2-(2,2,2-Trifluoro-1-(trifluoromethyl)ethyl)benzoxazoleRefChem:249982Benzoxazole, 2-[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-LOYHVWFHSRAKKN-UHFFFAOYSA-NDTXSID3012059352-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-benzoxazole
Database identifiers
- CAS
68287-85-4- PubChem CID
- 21731473
- DTXSID
DTXSID301205935
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 288
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Compound notes
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