Basic information
- CAS
77694-20-3- Standard SMILES
CC1(C)CC(NC(=O)C(F)(F)F)C(=O)O1- InChIKey
MPIAOPIHEOOWDH-UHFFFAOYSA-N- Molecular formula
- C8H10F3NO3
- Average molar mass
- 225.16 g/mol
- Monoisotopic mass
- 225.06127767
Names & identifiers
- Preferred name
- Acetamide, N-(5,5-dimethyl-2-oxotetrahydro-3-furyl)-2,2,2-trifluoro-
- IUPAC
- N-(5,5-dimethyl-2-oxooxolan-3-yl)-2,2,2-trifluoroacetamide
- English name
- N-(5,5-DIMETHYL-2-OXOTETRAHYDRO-3-FURYL)-2,2,2-TRIFLUOROACETAMIDE
- Molecular formula
- C8H10F3NO3
- Molecular weight
- 225.17
Names & synonyms
77694-20-3Acetamide, N-(5,5-dimethyl-2-oxotetrahydro-3-furyl)-2,2,2-trifluoro-RefChem:1075372N-(5,5-Dimethyl-2-Oxooxolan-3-yl-2,2,2-TrifluoroacetamideN-(5,5-dimethyl-2-oxooxolan-3-yl)-2,2,2-trifluoroacetamideN-(5,5-DIMETHYL-2-OXOTETRAHYDRO-3-FURYL)-2,2,2-TRIFLUOROACETAMIDEDTXSID50998887N-(5,5-Dimethyl-2-oxooxolan-3-yl)tri(fluoro)ethanimidic acidN-(5,5-Dimethyl-2-oxooxolan-3-yl)-2,2,2-trifluoroethanimidic acidAcetamide, 2,2,2-trifluoro-N-(tetrahydro-5,5-dimethyl-2-oxo-3-furanyl)-
Database identifiers
- CAS
77694-20-3- PubChem CID
- 53712
- DTXSID
DTXSID50998887- Nikkaji
- J72.574I
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Melting point
- 147 · 147-149 °C
- Boiling point
- 330.7 · 330.7±42.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 9.74 · 9.74±0.40(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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