Basic information
- CAS
19420-42-9- Standard SMILES
CN(C)CCCn1c(=O)oc2ccc(C(F)(F)F)cc21- InChIKey
APIMRRQMYKBOMC-UHFFFAOYSA-N- Molecular formula
- C13H15F3N2O2
- Average molar mass
- 288.27 g/mol
- Monoisotopic mass
- 288.10856221
Names & identifiers
- Preferred name
- 3-[3-(Dimethylamino)propyl]-5-(trifluoromethyl)-1,3-benzoxazol-2-one
- IUPAC
- 3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)-1,3-benzoxazol-2-one
Names & synonyms
3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)-1,3-benzoxazol-2-one
Database identifiers
- CAS
19420-42-9- PubChem CID
- 29586
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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