6-tert-Butyl-2-ethoxy-4,4-bis(trifluoromethyl)-1,3,2-dioxaborinane
Basic information
- CAS
100991-78-4- Standard SMILES
CCOB1OC(C(C)(C)C)CC(C(F)(F)F)(C(F)(F)F)O1- InChIKey
WQBJAVALEDDXNF-UHFFFAOYSA-N- Molecular formula
- C11H17BF6O3
- Average molar mass
- 322.05 g/mol
- Monoisotopic mass
- 322.1174935
Names & identifiers
- Preferred name
- 6-tert-Butyl-2-ethoxy-4,4-bis(trifluoromethyl)-1,3,2-dioxaborinane
- IUPAC
- 6-tert-butyl-2-ethoxy-4,4-bis(trifluoromethyl)-1,3,2-dioxaborinane
- English name
- 1,3,2-Dioxaborinane, 6-tert-butyl-2-methoxy-4,4-bis(trifluoromethyl)-
- Molecular formula
- C11H17BF6O3
- Molecular weight
- 322.05
Names & synonyms
100991-78-46-tert-butyl-2-ethoxy-4,4-bis(trifluoromethyl)-1,3,2-dioxaborinaneDTXSID40905868RefChem:1074146DTXCID6013349691,3,2-Dioxaborinane, 6-tert-butyl-2-methoxy-4,4-bis(trifluoromethyl)-BORIC ACID, CYCLIC 1-tert-BUTYL-3,3-BIS(TRIFLUOROMETHYL)TRIMETHYLENE ETHYL ESTER1,3,2-Dioxaborinane, 6-(1,1-dimethylethyl)-2-ethoxy-4,4-bis(trifluoromethyl)-
Database identifiers
- CAS
100991-78-4- PubChem CID
- 58134
- DTXSID
DTXSID40905868- Nikkaji
- J78.086C
Properties
Computed structural properties
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 348
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Related reactions
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Compound notes
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