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63863-43-4 molecular structure
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methyl 2,2,3,3-tetrafluoro-3-({1,1,1,2,3,3-hexafluoro-3-[(trifluoroethenyl)oxy]propan-2-yl}oxy)propanoate

ChemBase ID: 99492
Molecular Formular: C9H3F13O4
Molecular Mass: 422.0969616
Monoisotopic Mass: 421.98237544
SMILES and InChIs

SMILES:
O(C(F)(F)C(C(F)(F)F)(F)OC(C(C(=O)OC)(F)F)(F)F)C(=C(F)F)F
Canonical SMILES:
COC(=O)C(C(OC(C(OC(=C(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(F)F
InChI:
InChI=1S/C9H3F13O4/c1-24-4(23)5(13,14)8(19,20)26-6(15,7(16,17)18)9(21,22)25-3(12)2(10)11/h1H3
InChIKey:
OVAULROCPRKKJF-UHFFFAOYSA-N

Cite this record

CBID:99492 http://www.chembase.cn/molecule-99492.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2,2,3,3-tetrafluoro-3-({1,1,1,2,3,3-hexafluoro-3-[(trifluoroethenyl)oxy]propan-2-yl}oxy)propanoate
IUPAC Traditional name
methyl 2,2,3,3-tetrafluoro-3-({1,1,1,2,3,3-hexafluoro-3-[(trifluoroethenyl)oxy]propan-2-yl}oxy)propanoate
Synonyms
Methyl perfluoro(5-methyl-4,7-dioxanon-8-enoate)
CAS Number
63863-43-4
MDL Number
MFCD08460494
PubChem SID
162085757
PubChem CID
94610

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC7156 external link Add to cart Please log in.
Data Source Data ID
PubChem 94610 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.195906  LogD (pH = 7.4) 5.195906 
Log P 5.195906  Molar Refractivity 71.1018 cm3
Polarizability 19.564598 Å3 Polar Surface Area 44.76 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Boiling Point
151°C expand Show data source
Density
1.592 expand Show data source
Storage Warning
Corrosive expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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