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1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-3-one
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ChemBase ID:
12091
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Molecular Formular:
C6F12O
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Molecular Mass:
316.0444384
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Monoisotopic Mass:
315.97575326
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SMILES and InChIs
SMILES:
C(C(C(=O)C(C(F)(F)F)(F)F)(C(F)(F)F)F)(F)(F)F
Canonical SMILES:
O=C(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(F)F
InChI:
InChI=1S/C6F12O/c7-2(4(10,11)12,5(13,14)15)1(19)3(8,9)6(16,17)18
InChIKey:
RMLFHPWPTXWZNJ-UHFFFAOYSA-N
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Cite this record
CBID:12091 http://www.chembase.cn/molecule-12091.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-3-one
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IUPAC Traditional name
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1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-3-one
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Synonyms
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Perfluoro(2-methyl-3-pentanone)
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Heptafluoroisopropyl pentafluoroethyl ketone
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Perfluoro(2-methyl-3-pentanone) 98%
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perfluoro(2-methyl-3-pentanone)
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heptafluoroisopropyl pentafluoroethyl ketone,
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Novec 1230
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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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Chemspider ID
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Wikipedia Title
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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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1
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H Donor
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0
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LogD (pH = 5.5)
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4.2112017
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LogD (pH = 7.4)
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4.2112017
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Log P
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4.2112017
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Molar Refractivity
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32.4933 cm3
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Polarizability
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12.411102 Å3
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Polar Surface Area
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17.07 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
Wikipedia
PATENTS
PATENTS
PubChem Patent
Google Patent