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Molecule
ID:100591
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₆Cl₂F₁₂
Molecular Mass
370.9510384
Exact Mass
369.918544
Charge
0
InChI
InChI=1S/C6Cl2F12/c7-5(17,18)3(13,14)1(9,10)2(11,12)4(15,16)6(8,19)20
InChIKey
SNCGKZWVZZPGDQ-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(Cl)(F)F)(F)F)(C(C(C(Cl)(F)F)(F)F)(F)F)F
Isomeric Smiles
ClC(C(C(C(F)(F)C(C(Cl)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.2976613
LogD (pH = 7.4)
5.2976613
Log P
5.2976613
Molar Refractivity
41.2108
Polarizability
15.955054
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
false
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Molecule Details
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Data Source
Commercial Catalog
Apollo Scientific
PC9238
Academic Data
PubChem
2736851
Names and Identifiers
IUPAC Traditional name
1,6-dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
Synonyms
1,6-Dichloroperfluorohexane
IUPAC name
1,6-dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
Registration numbers
CAS Number
355-40-8
MDL Number
MFCD00155741
PubChem SID
162087342
PubChem CID
2736851
Properties
Safety Information
Storage Warning
Irritant
Source
Physical Property
Boiling Point
113-114°C
Source
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay