Butanoic acid, 2-methyl-, 2,2,2-trifluoroethyl ester
Basic information
- CAS
882172-65-8- Standard SMILES
CCC(C)C(=O)OCC(F)(F)F- InChIKey
DVIILYDACVGRMO-UHFFFAOYSA-N- Molecular formula
- C7H11F3O2
- Average molar mass
- 184.16 g/mol
- Monoisotopic mass
- 184.07111408
Names & identifiers
- Preferred name
- Butanoic acid, 2-methyl-, 2,2,2-trifluoroethyl ester
- IUPAC
- 2,2,2-trifluoroethyl 2-methylbutanoate
Names & synonyms
882172-65-8Butanoic acid, 2-methyl-, 2,2,2-trifluoroethyl esterRefChem:3307372-methylbutyric Acid, 2,2,2-trifluoroethyl ester2,2,2-trifluoroethyl 2-methylbutanoatetrifluoroethyl 2-methylbutyrateSCHEMBL8308167DTXSID101220531
Database identifiers
- CAS
882172-65-8- PubChem CID
- 22976397
- DTXSID
DTXSID101220531
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 153
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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