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Molecule
ID:8874
Structure
Similarity
Functional Group
Text
General Information
Structure
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Molecular Formula
C₆F₁₀
Molecular Mass
262.048232
Exact Mass
261.9840322
Charge
0
InChI
InChI=1S/C6F10/c7-1-2(8)4(11,12)6(15,16)5(13,14)3(1,9)10
InChIKey
ZFFLXJVVPHACEG-UHFFFAOYSA-N
Canonic Smiles
FC1=C(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F
Isomeric Smiles
C1(C(C(C(=C(C1(F)F)F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.8806272
LogD (pH = 7.4)
2.8806272
Log P
2.8806272
Molar Refractivity
29.2462
Polarizability
10.901718
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
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Registration numbers
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Properties
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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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Data Source
Commercial Catalog
Apollo Scientific
PC0101
Matrix Scientific
004862
Academic Data
PubChem
67738
Names and Identifiers
Synonyms
Decafluorocyclohexene
Decafluorocyclohexene
Perfluorocyclohexene
IUPAC Traditional name
decafluorocyclohexene
IUPAC name
decafluorocyclohex-1-ene
Registration numbers
PubChem CID
67738
PubChem SID
160972181
CAS Number
355-75-9
MDL Number
MFCD00037153
Properties
Safety Information
MSDS Link
Download link
Source
TSCA Listed
false
Source
Storage Warning
IRRITANT
Source
Irritant
Source
Physical Property
Boiling Point
53°C
Source
Melting Point
-50°C
Source
Product Information
Purity
97%
Source
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay