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2356-57-2 molecular structure
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1,2-dibromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane

ChemBase ID: 8738
Molecular Formular: C3Br2F6O
Molecular Mass: 325.8299192
Monoisotopic Mass: 323.82200794
SMILES and InChIs

SMILES:
O(C(F)(F)F)C(C(Br)(F)F)(F)Br
Canonical SMILES:
FC(OC(C(Br)(F)F)(Br)F)(F)F
InChI:
InChI=1S/C3Br2F6O/c4-1(6,7)2(5,8)12-3(9,10)11
InChIKey:
YFDBNXBLJICGCE-UHFFFAOYSA-N

Cite this record

CBID:8738 http://www.chembase.cn/molecule-8738.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-dibromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane
IUPAC Traditional name
1,2-dibromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane
Synonyms
1,2-Dibromotrifluoroethyl trifluoromethyl ether 97%
1,2-Dibromotrifluoroethyl trifluoromethyl ether
CAS Number
2356-57-2
MDL Number
MFCD01320784
PubChem SID
160972045
PubChem CID
2736796

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2736796 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.230686  LogD (pH = 7.4) 4.230686 
Log P 4.230686  Molar Refractivity 30.9214 cm3
Polarizability 13.718101 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
none°C expand Show data source
Storage Warning
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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