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1,6-dimethyl 2,2,3,3,4,4,5,5-octafluorohexanedioate
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ChemBase ID:
8867
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Molecular Formular:
C8H6F8O4
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Molecular Mass:
318.1180656
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Monoisotopic Mass:
318.01383443
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SMILES and InChIs
SMILES:
O(C(=O)C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F)C
Canonical SMILES:
COC(=O)C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F
InChI:
InChI=1S/C8H6F8O4/c1-19-3(17)5(9,10)7(13,14)8(15,16)6(11,12)4(18)20-2/h1-2H3
InChIKey:
XPXVIIILXUOEQA-UHFFFAOYSA-N
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Cite this record
CBID:8867 http://www.chembase.cn/molecule-8867.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1,6-dimethyl 2,2,3,3,4,4,5,5-octafluorohexanedioate
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IUPAC Traditional name
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1,6-dimethyl 2,2,3,3,4,4,5,5-octafluorohexanedioate
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Synonyms
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Dimethyl perfluoroadipate
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Octafluoroadipic acid dimethyl ester
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Dimethyl octafluoroadipate
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Dimethyl octafluorohexane-1,6-dioate
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Dimethyl octafluoroadipate 98%
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Dimethyl octafluoroadipate
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八氟己二酸二甲酯
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More...
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CAS Number
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MDL Number
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Beilstein 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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2
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H Donor
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0
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LogD (pH = 5.5)
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2.8306074
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LogD (pH = 7.4)
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2.8306074
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Log P
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2.8306074
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Molar Refractivity
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42.6488 cm3
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Polarizability
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16.997099 Å3
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Polar Surface Area
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52.6 Å2
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Rotatable Bonds
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7
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent