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24647-20-9 molecular structure
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methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate

ChemBase ID: 97464
Molecular Formular: C8H6F8O6
Molecular Mass: 350.1168656
Monoisotopic Mass: 350.00366367
SMILES and InChIs

SMILES:
O(C)C(=O)C(F)(F)OC(C(OC(C(=O)OC)(F)F)(F)F)(F)F
Canonical SMILES:
COC(=O)C(OC(C(OC(C(=O)OC)(F)F)(F)F)(F)F)(F)F
InChI:
InChI=1S/C8H6F8O6/c1-19-3(17)5(9,10)21-7(13,14)8(15,16)22-6(11,12)4(18)20-2/h1-2H3
InChIKey:
QSOLRJAJYGNQPD-UHFFFAOYSA-N

Cite this record

CBID:97464 http://www.chembase.cn/molecule-97464.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate
IUPAC Traditional name
methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate
Synonyms
Dimethyl perfluoro-3,6-dioxaoctane-1,8-dioate
CAS Number
24647-20-9
MDL Number
MFCD03094248
PubChem SID
162084071
PubChem CID
2778346

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 2778346 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.3266404  LogD (pH = 7.4) 3.3266404 
Log P 3.3266404  Molar Refractivity 48.3242 cm3
Polarizability 18.674055 Å3 Polar Surface Area 71.06 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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