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1272412-65-3 molecular structure
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2-{2,2-difluoro-1-[(2-methoxyethoxy)methoxy]ethenyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

ChemBase ID: 65249
Molecular Formular: C12H21BF2O5
Molecular Mass: 294.0999464
Monoisotopic Mass: 294.14501061
SMILES and InChIs

SMILES:
B1(OC(C(O1)(C)C)(C)C)C(=C(F)F)OCOCCOC
Canonical SMILES:
COCCOCOC(=C(F)F)B1OC(C(O1)(C)C)(C)C
InChI:
InChI=1S/C12H21BF2O5/c1-11(2)12(3,4)20-13(19-11)9(10(14)15)18-8-17-7-6-16-5/h6-8H2,1-5H3
InChIKey:
IDWBUWZLOWIIFY-UHFFFAOYSA-N

Cite this record

CBID:65249 http://www.chembase.cn/molecule-65249.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{2,2-difluoro-1-[(2-methoxyethoxy)methoxy]ethenyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Traditional name
2-{2,2-difluoro-1-[(2-methoxyethoxy)methoxy]ethenyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Synonyms
2-[2,2-Difluoro-1-(MEM)ethenyl]-boronic acid pinacol ester
CAS Number
1272412-65-3
MDL Number
MFCD18325179
PubChem SID
162030988
PubChem CID
66521744

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 66521744 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0872  LogD (pH = 7.4) 3.0872 
Log P 3.0872  Molar Refractivity 83.6835 cm3
Polarizability 26.929106 Å3 Polar Surface Area 46.15 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
94% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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