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101156-31-4 molecular structure
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2,3,5,6-tetrafluorophenyl 2-methylprop-2-enoate

ChemBase ID: 99214
Molecular Formular: C10H6F4O2
Molecular Mass: 234.1470528
Monoisotopic Mass: 234.03039231
SMILES and InChIs

SMILES:
Fc1c(cc(c(c1OC(=O)C(=C)C)F)F)F
Canonical SMILES:
O=C(C(=C)C)Oc1c(F)c(F)cc(c1F)F
InChI:
InChI=1S/C10H6F4O2/c1-4(2)10(15)16-9-7(13)5(11)3-6(12)8(9)14/h3H,1H2,2H3
InChIKey:
DDQNBJUNTSWDDM-UHFFFAOYSA-N

Cite this record

CBID:99214 http://www.chembase.cn/molecule-99214.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3,5,6-tetrafluorophenyl 2-methylprop-2-enoate
IUPAC Traditional name
2,3,5,6-tetrafluorophenyl 2-methylprop-2-enoate
Synonyms
2,3,5,6-Tetrafluorophenyl 2-methylprop-2-enoate
4H-Tetrafluorophenyl methacrylate
CAS Number
101156-31-4
MDL Number
MFCD00129959
PubChem SID
162085504
PubChem CID
13587853

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC6744 external link Add to cart Please log in.
Data Source Data ID
PubChem 13587853 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.5364914  LogD (pH = 7.4) 3.5364914 
Log P 3.5364914  Molar Refractivity 47.0608 cm3
Polarizability 17.37778 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Flash Point
>110°C expand Show data source
Density
1.3 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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