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1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-1,8-diiodooctane
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ChemBase ID:
8908
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Molecular Formular:
C8F16I2
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Molecular Mass:
653.8689912
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Monoisotopic Mass:
653.78339752
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SMILES and InChIs
SMILES:
C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(I)(F)F)(F)F
Canonical SMILES:
FC(C(C(C(I)(F)F)(F)F)(F)F)(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)F
InChI:
InChI=1S/C8F16I2/c9-1(10,3(13,14)5(17,18)7(21,22)25)2(11,12)4(15,16)6(19,20)8(23,24)26
InChIKey:
SRDQTCUHAMDAMG-UHFFFAOYSA-N
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Cite this record
CBID:8908 http://www.chembase.cn/molecule-8908.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-1,8-diiodooctane
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IUPAC Traditional name
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1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-1,8-diiodooctane
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Synonyms
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1,8-Diiodoperfluorooctane
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1,8-Diiodohexadecafluorooctane
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Perfluoro-1,8-diiodooctane 98%
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Hexadecafluoro-1,8-diiodooctane
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1,8-二碘代全氟辛烷
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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0
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H Donor
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0
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LogD (pH = 5.5)
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7.3464
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LogD (pH = 7.4)
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7.3464
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Log P
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7.3464
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Molar Refractivity
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66.8266 cm3
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Polarizability
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27.019377 Å3
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Polar Surface Area
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0.0 Å2
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Rotatable Bonds
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7
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Lipinski's Rule of Five
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false
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DETAILS
DETAILS
Sigma Aldrich
PATENTS
PATENTS
PubChem Patent
Google Patent