4,4,4-Trifluorobutyl hexanoate
Basic information
- CAS
885276-36-8- Standard SMILES
CCCCCC(=O)OCCCC(F)(F)F- InChIKey
BMMXYUIMFXZJIE-UHFFFAOYSA-N- Molecular formula
- C10H17F3O2
- Average molar mass
- 226.24 g/mol
- Monoisotopic mass
- 226.11806427
Names & identifiers
- Preferred name
- 4,4,4-Trifluorobutyl hexanoate
- IUPAC
- 4,4,4-trifluorobutyl hexanoate
- English name
- 4,4,4-Trifluorobutyl hexanoate
- Molecular formula
- C10H17F3O2
- Molecular weight
- 226.24
Names & synonyms
4,4,4-Trifluorobutyl hexanoate885276-36-8MFCD07784246C10H17F3O2DTXSID90663087SBB096968AKOS0173432324,4,4-Trifluorobutyl hexanoate 95+%Hexanoic acid, 4,4,4-trifluorobutyl ester
Database identifiers
- CAS
885276-36-8- PubChem CID
- 45075683
- DTXSID
DTXSID90663087
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- HS Code
- 2915907098 · 2915907098
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2915907098
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Related reactions
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Compound notes
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