Home > Compound List > Compound details
80793-17-5 molecular structure
click picture or here to close

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane

ChemBase ID: 98758
Molecular Formular: C8H5F13
Molecular Mass: 348.1045416
Monoisotopic Mass: 348.01836702
SMILES and InChIs

SMILES:
FC(C(F)(F)F)(F)C(C(F)(F)C(C(CC)(F)F)(F)F)(F)F
Canonical SMILES:
CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI:
InChI=1S/C8H5F13/c1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h2H2,1H3
InChIKey:
SKRWRXWNQFQGRU-UHFFFAOYSA-N

Cite this record

CBID:98758 http://www.chembase.cn/molecule-98758.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
IUPAC Traditional name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
Synonyms
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorooctane
(Perfluorohex-1-yl)ethane
1H,1H,1H,2H,2H-Perfluorooctane 97%
CAS Number
80793-17-5
MDL Number
MFCD00236705
PubChem SID
162085127
PubChem CID
2776163

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC6086F external link Add to cart Please log in.
Data Source Data ID
PubChem 2776163 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.2804637  LogD (pH = 7.4) 5.2804637 
Log P 5.2804637  Molar Refractivity 40.1421 cm3
Polarizability 15.379557 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Boiling Point
114-116°C expand Show data source
Density
1.566 expand Show data source
Refractive Index
1.3000 expand Show data source
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle