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336-07-2 molecular structure
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1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane

ChemBase ID: 98666
Molecular Formular: C6H2F12
Molecular Mass: 302.0609184
Monoisotopic Mass: 301.9964887
SMILES and InChIs

SMILES:
FC(C(F)(C(C(C(F)F)(F)F)(F)F)F)(C(F)F)F
Canonical SMILES:
FC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI:
InChI=1S/C6H2F12/c7-1(8)3(11,12)5(15,16)6(17,18)4(13,14)2(9)10/h1-2H
InChIKey:
UYDBQWIWVMBDME-UHFFFAOYSA-N

Cite this record

CBID:98666 http://www.chembase.cn/molecule-98666.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
IUPAC Traditional name
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
Synonyms
1H,6H-Perfluorohexane 97%
CAS Number
336-07-2
MDL Number
MFCD00155777
PubChem SID
162085052
PubChem CID
208872

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 208872 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.485754  H Acceptors
H Donor LogD (pH = 5.5) 3.9067674 
LogD (pH = 7.4) 3.9067674  Log P 3.9067674 
Molar Refractivity 29.7618 cm3 Polarizability 12.05993 Å3
Polar Surface Area 0.0 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Boiling Point
93°C 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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