4,4,4-Trifluorobutyl 2-methyl-2-propenoate
Basic information
- CAS
100894-77-7- Standard SMILES
C=C(C)C(=O)OCCCC(F)(F)F- InChIKey
AYLIBFFGMZIILD-UHFFFAOYSA-N- Molecular formula
- C8H11F3O2
- Average molar mass
- 196.17 g/mol
- Monoisotopic mass
- 196.07111408
Names & identifiers
- Preferred name
- 4,4,4-Trifluorobutyl 2-methyl-2-propenoate
- IUPAC
- 4,4,4-trifluorobutyl 2-methylprop-2-enoate
Names & synonyms
4,4,4-trifluorobutyl 2-methylprop-2-enoate4,4,4-Trifluorobutyl 2-methyl-2-propenoateSCHEMBL6849323AYLIBFFGMZIILD-UHFFFAOYSA-NDTXSID401268340100894-77-7
Database identifiers
- CAS
100894-77-7- PubChem CID
- 53668751
- DTXSID
DTXSID401268340
Properties
Computed structural properties
- XLogP
- 3.5
- 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
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Compound notes
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