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7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecan-1-ol
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ChemBase ID:
93165
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Molecular Formular:
C14H13F17O
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Molecular Mass:
520.2252744
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Monoisotopic Mass:
520.06949478
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SMILES and InChIs
SMILES:
FC(C(C(C(C(C(C(C(CCCCCCO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Canonical SMILES:
OCCCCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI:
InChI=1S/C14H13F17O/c15-7(16,5-3-1-2-4-6-32)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h32H,1-6H2
InChIKey:
LNZANUNVXAAVRW-UHFFFAOYSA-N
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Cite this record
CBID:93165 http://www.chembase.cn/molecule-93165.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecan-1-ol
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IUPAC Traditional name
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7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecan-1-ol
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Synonyms
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6-(Perfluorooctyl)hexanol
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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
Acid pKa
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16.843943
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H Acceptors
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1
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H Donor
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1
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LogD (pH = 5.5)
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7.023345
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LogD (pH = 7.4)
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7.023345
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Log P
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7.023345
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Molar Refractivity
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69.8108 cm3
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Polarizability
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26.43103 Å3
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Polar Surface Area
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20.23 Å2
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Rotatable Bonds
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13
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Lipinski's Rule of Five
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false
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PROPERTIES
PROPERTIES
Safety Information
Bioassay(PubChem)
Storage Warning
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Flammable
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent