5-(trifluoromethyl)-3(2H)-Isoxazolone
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Basic information
- CAS
388091-41-6- Standard SMILES
O=c1cc(C(F)(F)F)o[nH]1- InChIKey
WRHZJOFBEBPIFC-UHFFFAOYSA-N- Molecular formula
- C4H2F3NO2
- Average molar mass
- 153.06 g/mol
- Monoisotopic mass
- 153.00376279
Names & identifiers
- Preferred name
- 5-(trifluoromethyl)-3(2H)-Isoxazolone
- IUPAC
- 5-(trifluoromethyl)-1,2-oxazol-3-one
- English name
- 3(2H)-Isoxazolone,5-(trifluoromethyl)-(9CI)
- Molecular formula
- C4H2F3NO2
- Molecular weight
- 153.06
Names & synonyms
388091-41-65-(trifluoromethyl)-3(2H)-Isoxazolone5-(Trifluoromethyl)isoxazol-3(2H)-one5-(trifluoromethyl)-1,2-oxazol-3-one5-trifluoromethylisoxazoloneSCHEMBL24168821DB-069728CS-03709983(2H)-Isoxazolone, 5-(trifluoroMethyl)-3(2H)-Isoxazolone,5-(trifluoromethyl)-(9CI)
Database identifiers
- CAS
388091-41-6- PubChem CID
- 45099050
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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