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Molecule
ID:11901
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₈Cl₂F₁₆
Molecular Mass
470.9660512
Exact Mass
469.91215688
Charge
0
InChI
InChI=1S/C8Cl2F16/c9-7(23,24)5(19,20)3(15,16)1(11,12)2(13,14)4(17,18)6(21,22)8(10,25)26
InChIKey
GFQXWORJCNTDPU-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(Cl)(F)F)(F)F)(F)F)(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)F
Isomeric Smiles
ClC(C(C(C(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.698947
LogD (pH = 7.4)
6.698947
Log P
6.698947
Molar Refractivity
50.5468
Polarizability
19.780918
Polar Surface Area
0.0
Rotatable Bonds
7
Lipinski's Rule of Five
false
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
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MDL Number
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CAS Number
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Product Information
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
PC1274
Matrix Scientific
008905
Academic Data
PubChem
2774033
Names and Identifiers
IUPAC Traditional name
pfdco
IUPAC name
1,8-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane
Synonyms
1,8-Dichloroperfluorooctane
1,8-Dichloroperfluorooctane 99%
Registration numbers
MDL Number
MFCD00155747
CAS Number
647-25-6
PubChem SID
160975208
PubChem CID
2774033
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Properties
Physical Property
Boiling Point
115°C/299mm
Source
115°C/200mm
Source
Safety Information
Storage Warning
IRRITANT
Source
Irritant
Source
MSDS Link
Download link
Source
false
Source
Product Information
99%
Source
TSCA Listed
Purity