Butyl 2-(trifluoromethyl)prop-2-enoate
Basic information
- CAS
105935-22-6- Standard SMILES
C=C(C(=O)OCCCC)C(F)(F)F- InChIKey
NJFQOVLUIOWIOI-UHFFFAOYSA-N- Molecular formula
- C8H11F3O2
- Average molar mass
- 196.17 g/mol
- Monoisotopic mass
- 196.07111408
Names & identifiers
- Preferred name
- Butyl 2-(trifluoromethyl)prop-2-enoate
- IUPAC
- butyl 2-(trifluoromethyl)prop-2-enoate
Names & synonyms
BUTYL 2-(TRIFLUOROMETHYL)PROP-2-ENOATE105935-22-6SCHEMBL221345DTXSID90601146NJFQOVLUIOWIOI-UHFFFAOYSA-N
Database identifiers
- CAS
105935-22-6- PubChem CID
- 19901705
- DTXSID
DTXSID90601146
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 196
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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