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156053-88-2 molecular structure
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1,1,1,2,2-pentafluoro-2-(2,2,2-trifluoroethoxy)ethane

ChemBase ID: 9608
Molecular Formular: C4H2F8O
Molecular Mass: 218.0453056
Monoisotopic Mass: 217.99779044
SMILES and InChIs

SMILES:
C(OCC(F)(F)F)(C(F)(F)F)(F)F
Canonical SMILES:
FC(COC(C(F)(F)F)(F)F)(F)F
InChI:
InChI=1S/C4H2F8O/c5-2(6,7)1-13-4(11,12)3(8,9)10/h1H2
InChIKey:
ZOMISZRVOJQGOT-UHFFFAOYSA-N

Cite this record

CBID:9608 http://www.chembase.cn/molecule-9608.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,1,1,2,2-pentafluoro-2-(2,2,2-trifluoroethoxy)ethane
IUPAC Traditional name
1,1,1,2,2-pentafluoro-2-(2,2,2-trifluoroethoxy)ethane
Synonyms
Pentafluoroethyl 2,2,2-trifluoroethyl ether
Pentafluoroethyl 2,2,2-trifluoroethyl ether 97%
CAS Number
156053-88-2
MDL Number
MFCD00476371
PubChem SID
160972915
PubChem CID
2775955

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2775955 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8828807  LogD (pH = 7.4) 2.8828807 
Log P 2.8828807  Molar Refractivity 24.4778 cm3
Polarizability 9.065048 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)
Boiling Point
27.8°C expand Show data source
28°C expand Show data source
Flash Point
none°C expand Show data source
Density
1.448 expand Show data source
Storage Warning
GAS expand Show data source
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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