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132665-00-0 molecular structure
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6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-iodoundecan-1-ol

ChemBase ID: 99138
Molecular Formular: C11H10F13IO
Molecular Mass: 532.0802116
Monoisotopic Mass: 531.9568798
SMILES and InChIs

SMILES:
OCCCC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)I
Canonical SMILES:
OCCCC(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
InChI:
InChI=1S/C11H10F13IO/c12-6(13,4-5(25)2-1-3-26)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h5,26H,1-4H2
InChIKey:
FPLJNGUIASXYLD-UHFFFAOYSA-N

Cite this record

CBID:99138 http://www.chembase.cn/molecule-99138.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-iodoundecan-1-ol
IUPAC Traditional name
6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-iodoundecan-1-ol
Synonyms
6,6,7,7,8,8,9,9,10,10,11,11,11-Tridecafluoro-4-iodoundecan-1-ol
4-Iodo-5-(perfluorohexyl)pentan-1-ol 95%
CAS Number
132665-00-0
PubChem SID
162085431
PubChem CID
10875133

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 10875133 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.973019  H Acceptors
H Donor LogD (pH = 5.5) 6.02361 
LogD (pH = 7.4) 6.02361  Log P 6.02361 
Molar Refractivity 68.3081 cm3 Polarizability 26.590887 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds 10 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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