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106209-21-6 molecular structure
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1-ethenyl-4-(heptadecafluorooctyl)benzene

ChemBase ID: 93073
Molecular Formular: C16H7F17
Molecular Mass: 522.1996344
Monoisotopic Mass: 522.02762996
SMILES and InChIs

SMILES:
FC(C(C(C(C(C(C(C(c1ccc(cc1)C=C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Canonical SMILES:
C=Cc1ccc(cc1)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI:
InChI=1S/C16H7F17/c1-2-7-3-5-8(6-4-7)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h2-6H,1H2
InChIKey:
DBTAMHSPOTZDDY-UHFFFAOYSA-N

Cite this record

CBID:93073 http://www.chembase.cn/molecule-93073.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-ethenyl-4-(heptadecafluorooctyl)benzene
IUPAC Traditional name
1-ethenyl-4-(heptadecafluorooctyl)benzene
Synonyms
1-(Heptadecafluorooct-1-yl)-4-vinylbenzene
1-Ethenyl-4-(heptadecafluorooct-1-yl)benzene
4-(Perfluorooct-1-yl)styrene
CAS Number
106209-21-6
MDL Number
MFCD17168266
PubChem SID
162079769
PubChem CID
51342017

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC01474 external link Add to cart Please log in.
Data Source Data ID
PubChem 51342017 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 8.492295  LogD (pH = 7.4) 8.492295 
Log P 8.492295  Molar Refractivity 74.394 cm3
Polarizability 27.362543 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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