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659-98-3 molecular structure
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2-methyl-2-(1,1,2,2-tetrafluoroethoxy)propane

ChemBase ID: 96801
Molecular Formular: C6H10F4O
Molecular Mass: 174.1366128
Monoisotopic Mass: 174.06677782
SMILES and InChIs

SMILES:
O(C(C(F)F)(F)F)C(C)(C)C
Canonical SMILES:
FC(C(OC(C)(C)C)(F)F)F
InChI:
InChI=1S/C6H10F4O/c1-5(2,3)11-6(9,10)4(7)8/h4H,1-3H3
InChIKey:
MXQPKYCQVNRWJV-UHFFFAOYSA-N

Cite this record

CBID:96801 http://www.chembase.cn/molecule-96801.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-2-(1,1,2,2-tetrafluoroethoxy)propane
IUPAC Traditional name
2-methyl-2-(1,1,2,2-tetrafluoroethoxy)propane
Synonyms
t-Butyl 1,1,2,2-tetrafluoroethyl ether
CAS Number
659-98-3
MDL Number
MFCD04039248
PubChem SID
162083447
PubChem CID
2782467

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 2782467 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.876045  H Acceptors
H Donor LogD (pH = 5.5) 2.4929836 
LogD (pH = 7.4) 2.4929836  Log P 2.4929836 
Molar Refractivity 31.9436 cm3 Polarizability 11.942987 Å3
Polar Surface Area 9.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Boiling Point
48°C/188mm expand Show data source
Density
1.1122 expand Show data source
Refractive Index
1.329 expand Show data source
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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