Home > Compound List > Compound details
MFCD00155723 molecular structure
click picture or here to close

2-chloro-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene

ChemBase ID: 100521
Molecular Formular: C8H2ClF13
Molecular Mass: 380.5337216
Monoisotopic Mass: 379.9637446
SMILES and InChIs

SMILES:
ClC(=C)C(C(F)(F)C(F)(C(F)(F)C(C(F)(F)F)(F)F)F)(F)F
Canonical SMILES:
ClC(=C)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI:
InChI=1S/C8H2ClF13/c1-2(9)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)22/h1H2
InChIKey:
SZFSPMFXRJVSPT-UHFFFAOYSA-N

Cite this record

CBID:100521 http://www.chembase.cn/molecule-100521.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene
IUPAC Traditional name
2-chloro-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene
Synonyms
2-1H,1H-Chloroperfluorooct-1-ene
1-Chloro-1-(perfluorohexyl)ethylene
MDL Number
MFCD00155723
PubChem SID
162086479
PubChem CID
2736637

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC9092 external link Add to cart Please log in.
Data Source Data ID
PubChem 2736637 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.5978475  LogD (pH = 7.4) 5.5978475 
Log P 5.5978475  Molar Refractivity 44.638 cm3
Polarizability 17.083096 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
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