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1,3-dibromo-1,4-dichloro-1,2,2,3,4,4-hexafluorobutane
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ChemBase ID:
8689
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Molecular Formular:
C4Br2Cl2F6
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Molecular Mass:
392.7472192
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Monoisotopic Mass:
389.76479868
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SMILES and InChIs
SMILES:
C(C(C(C(Cl)(F)F)(F)Br)(F)F)(Br)(F)Cl
Canonical SMILES:
FC(C(C(C(Cl)(F)F)(Br)F)(F)F)(Br)Cl
InChI:
InChI=1S/C4Br2Cl2F6/c5-1(9,4(8,13)14)2(10,11)3(6,7)12
InChIKey:
CNQPZAGOLNLMLO-UHFFFAOYSA-N
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Cite this record
CBID:8689 http://www.chembase.cn/molecule-8689.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1,3-dibromo-1,4-dichloro-1,2,2,3,4,4-hexafluorobutane
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IUPAC Traditional name
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1,3-dibromo-1,4-dichloro-1,2,2,3,4,4-hexafluorobutane
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Synonyms
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1,3-Dibromo-1,4,-dichlorohexafluorobutane 98%
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1,3-Dibromo-1,4-dichlorohexafluorobutane
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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0
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H Donor
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0
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LogD (pH = 5.5)
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4.573345
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LogD (pH = 7.4)
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4.573345
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Log P
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4.573345
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Molar Refractivity
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47.2532 cm3
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Polarizability
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18.415428 Å3
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Polar Surface Area
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0.0 Å2
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Rotatable Bonds
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3
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Safety Information
Bioassay(PubChem)
Storage Warning
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Irritant
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Show
data source
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MSDS Link
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TSCA Listed
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false
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent