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MFCD06800562 molecular structure
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4,4-difluorobut-3-en-1-yl acetate

ChemBase ID: 16254
Molecular Formular: C6H8F2O2
Molecular Mass: 150.1233264
Monoisotopic Mass: 150.04923594
SMILES and InChIs

SMILES:
C(=O)(C)OCCC=C(F)F
Canonical SMILES:
CC(=O)OCCC=C(F)F
InChI:
InChI=1S/C6H8F2O2/c1-5(9)10-4-2-3-6(7)8/h3H,2,4H2,1H3
InChIKey:
IPWMTBVPEHSSKI-UHFFFAOYSA-N

Cite this record

CBID:16254 http://www.chembase.cn/molecule-16254.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,4-difluorobut-3-en-1-yl acetate
IUPAC Traditional name
4,4-difluorobut-3-en-1-yl acetate
Synonyms
4,4-Difluoro-3-butenylacetate
MDL Number
MFCD06800562
PubChem SID
160979561
PubChem CID
26188823

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
018208 external link Add to cart Please log in.
Data Source Data ID
PubChem 26188823 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1216092  LogD (pH = 7.4) 1.1216092 
Log P 1.1216092  Molar Refractivity 42.4601 cm3
Polarizability 11.989609 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
123°C expand Show data source
Storage Warning
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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