Basic information
- CAS
62693-29-2- Standard SMILES
O=C(Cc1nc2ccccc2o1)C(F)(F)F- InChIKey
OWVYBMYMYZKXOR-UHFFFAOYSA-N- Molecular formula
- C10H6F3NO2
- Average molar mass
- 229.15 g/mol
- Monoisotopic mass
- 229.03506292
Names & identifiers
- Preferred name
- ST084300
- IUPAC
- 3-(1,3-benzoxazol-2-yl)-1,1,1-trifluoropropan-2-one
Names & synonyms
62693-29-2ST084300DTXSID40333142RefChem:381463DTXCID502842323-(1,3-benzoxazol-2-yl)-1,1,1-trifluoropropan-2-one3-Benzoxazol-2-yl-1,1,1-trifluoroacetone3-(2-Benzoxazolyl)-1,1,1-trifluoro-2-propanoneCHEMBL607582-(trifluoroacetonyl)-benzoxazoleOWVYBMYMYZKXOR-UHFFFAOYSA-NSTK791129
Show more names
AKOS0017461703-(1,3-benzoxazol-2-yl)-1,1,1-trifluoro-propan-2-one3-(1,3-BENZOXAZOL-2-YL)-1,1,1-TRIFLUOROACETONE
Database identifiers
- CAS
62693-29-2- PubChem CID
- 486290
- DTXSID
DTXSID40333142- ChEMBL
CHEMBL60758- Nikkaji
- J842.216H
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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