Ether, methyl 1,2-dibromoheptafluoroisobutyl

HCID 30145

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Basic information

CAS: 20404-94-8
Standard SMILES: COC(F)(Br)C(Br)(C(F)(F)F)C(F)(F)F
InChIKey: SMXZUPDMRYGWRM-UHFFFAOYSA-N
Molecular formula: C5H3Br2F7O
Average molar mass: 371.87 g/mol
Monoisotopic mass: 369.84389

Names & identifiers

Preferred name: Ether, methyl 1,2-dibromoheptafluoroisobutyl
IUPAC: 1,2-dibromo-1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)propane
English name: 1,2-Dibromo-1,3,3,3-tetrafluoro-2-(trifluoromethyl)propylmethyl ether
Molecular formula: C5H3Br2F7O
Molecular weight: 371.87

Names & synonyms

20404-94-8ETHER, METHYL 1,2-DIBROMOHEPTAFLUOROISOBUTYLRefChem:10846261,2-Dibromoheptafluoroisobutyl methyl ether1,2-dibromo-1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)propaneDTXSID70942569Propane, 1,2-dibromo-1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)-1,2-Dibromo-1,3,3,3-tetrafluoro-2-(trifluoromethyl)propylmethyl etherPropane, 2-bromo-2-(bromofluoromethoxymethyl)-1,1,1,3,3,3-hexafluoro- (9CI)

Database identifiers

CAS: 20404-94-8
PubChem CID: 30145
DTXSID: DTXSID70942569
Nikkaji: J34.752C

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 223

Physicochemical properties

Boiling point: 121.265 · 121.265±40.00 °C(Press: 760.00 Torr)(predicted)
Density: 2.0497 · 2.0497 (rough estimate)
refractive index: 1.4633 · 1.4633 (estimate)

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