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1,1,1,2,3,3,4,4-octafluoro-4-iodo-2-(trifluoromethyl)butane
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ChemBase ID:
98765
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Molecular Formular:
C5F11I
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Molecular Mass:
395.9404052
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Monoisotopic Mass:
395.88690842
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SMILES and InChIs
SMILES:
IC(F)(F)C(F)(C(C(F)(F)F)(C(F)(F)F)F)F
Canonical SMILES:
FC(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(I)F
InChI:
InChI=1S/C5F11I/c6-1(3(9,10)11,4(12,13)14)2(7,8)5(15,16)17
InChIKey:
UMPRKACBONFPEQ-UHFFFAOYSA-N
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Cite this record
CBID:98765 http://www.chembase.cn/molecule-98765.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1,1,1,2,3,3,4,4-octafluoro-4-iodo-2-(trifluoromethyl)butane
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IUPAC Traditional name
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1,1,1,2,3,3,4,4-octafluoro-4-iodo-2-(trifluoromethyl)butane
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Synonyms
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Perfluoro-3-methylbutyl iodide
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Perfluoroisopentyl iodide 98%
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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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4.0095
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LogD (pH = 7.4)
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4.0095
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Log P
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4.0095
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Molar Refractivity
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40.122 cm3
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Polarizability
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15.88114 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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4
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent