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108050-42-6 molecular structure
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4-(1,1,1,3,3,3-hexafluoro-2-{4-[(2-methylprop-2-enoyl)oxy]phenyl}propan-2-yl)phenyl 2-methylprop-2-enoate

ChemBase ID: 100588
Molecular Formular: C23H18F6O4
Molecular Mass: 472.3770392
Monoisotopic Mass: 472.11092838
SMILES and InChIs

SMILES:
FC(C(c1ccc(cc1)OC(=O)C(=C)C)(c1ccc(cc1)OC(=O)C(=C)C)C(F)(F)F)(F)F
Canonical SMILES:
O=C(C(=C)C)Oc1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)c1ccc(cc1)OC(=O)C(=C)C
InChI:
InChI=1S/C23H18F6O4/c1-13(2)19(30)32-17-9-5-15(6-10-17)21(22(24,25)26,23(27,28)29)16-7-11-18(12-8-16)33-20(31)14(3)4/h5-12H,1,3H2,2,4H3
InChIKey:
AAOHKRNFHQXDFX-UHFFFAOYSA-N

Cite this record

CBID:100588 http://www.chembase.cn/molecule-100588.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(1,1,1,3,3,3-hexafluoro-2-{4-[(2-methylprop-2-enoyl)oxy]phenyl}propan-2-yl)phenyl 2-methylprop-2-enoate
IUPAC Traditional name
4-(1,1,1,3,3,3-hexafluoro-2-{4-[(2-methylprop-2-enoyl)oxy]phenyl}propan-2-yl)phenyl 2-methylprop-2-enoate
Synonyms
4,4'-(Hexafluoroisopropylidene)diphenyl dimethacrylate
2,2-Bis(4-methacryloxyphenyl)-1,1,1,3,3,3-hexafluoropropane
CAS Number
108050-42-6
MDL Number
MFCD00080522
PubChem SID
162086880
PubChem CID
2775006

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 2775006 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.3658357  LogD (pH = 7.4) 7.3658357 
Log P 7.3658357  Molar Refractivity 117.4527 cm3
Polarizability 39.77355 Å3 Polar Surface Area 52.6 Å2
Rotatable Bonds 10  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Flammable/Keep Cold expand Show data source

DETAILS

DETAILS

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REFERENCES

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PATENTS

PATENTS

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