4,4,4-Trifluorobutyl 4,4,4-trifluorobutyrate
Basic information
- CAS
885276-39-1- Standard SMILES
O=C(CCC(F)(F)F)OCCCC(F)(F)F- InChIKey
OOKAMCOYHHGELK-UHFFFAOYSA-N- Molecular formula
- C8H10F6O2
- Average molar mass
- 252.15 g/mol
- Monoisotopic mass
- 252.05849853
Names & identifiers
- Preferred name
- 4,4,4-Trifluorobutyl 4,4,4-trifluorobutyrate
- IUPAC
- 4,4,4-trifluorobutyl 4,4,4-trifluorobutanoate
- English name
- 4,4,4-Trifluorobutyl 4,4,4-trifluorobutyrate
- Molecular formula
- C8H10F6O2
- Molecular weight
- 252.15
Names & synonyms
4,4,4-Trifluorobutyl 4,4,4-trifluorobutyrate885276-39-14,4,4-Trifluorobutyl 4,4,4-trifluorobutanoateMFCD07784245C8H10F6O2DTXSID50663088SBB101075AKOS017344644Butanoic acid, 4,4,4-trifluoro-, 4,4,4-trifluorobutyl ester
Database identifiers
- CAS
885276-39-1- PubChem CID
- 45075684
- DTXSID
DTXSID50663088
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Boiling point
- 148.8 · 148.8±40.0 °C(Predicted)
- Density
- 1.28 · 1.280±0.06 g/cm3(Predicted)
- HS Code
- 2916399090 · 2916399090
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
- 2916399090
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Related reactions
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Compound notes
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