Basic information
- Standard SMILES
CCOC(=O)C=C(C)C(F)(F)F- InChIKey
OSZLARYVWBUKTG-UHFFFAOYSA-N- Molecular formula
- C7H9F3O2
- Average molar mass
- 182.14 g/mol
Overview
See also: 4,4,4-Trifluor-3-methyl-2-butensaeure-ethylester (annotation moved to).
Names & identifiers
- Preferred name
- Ethyl 4,4,4-trifluoro-3-methyl-2-butenoate
- IUPAC
- ethyl 4,4,4-trifluoro-3-methylbut-2-enoate
Names & synonyms
Ethyl 3-(trifluoromethyl)crotonate24490-03-7ethyl 4,4,4-trifluoro-3-methyl-2-butenoateEthyl 3-(Trifluoromethyl)-2-butenoateethyl 3-trifluoromethylbutenoateSCHEMBL10175384,4,4-Trifluoro-3-methyl-but-2-enoic acid ethyl esterEthyl 3-(trifluoromethyl)crotonate?AT26810DB-096048ethyl 4,4,4-trifluoro-3-methyl-but-2-enoateNSC379425, CID342470, 24490-03-7
Database identifiers
- PubChem CID
- 342470
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Related reactions
3 records
Compound notes
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