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4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxyheptyl 2-methylprop-2-enoate
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ChemBase ID:
10293
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Molecular Formular:
C11H11F9O3
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Molecular Mass:
362.1888688
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Monoisotopic Mass:
362.05644819
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SMILES and InChIs
SMILES:
C(C(C(C(CC(COC(=O)C(=C)C)O)(F)F)(F)F)(F)F)(F)(F)F
Canonical SMILES:
OC(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)COC(=O)C(=C)C
InChI:
InChI=1S/C11H11F9O3/c1-5(2)7(22)23-4-6(21)3-8(12,13)9(14,15)10(16,17)11(18,19)20/h6,21H,1,3-4H2,2H3
InChIKey:
BCTGGJURYOEMFV-UHFFFAOYSA-N
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Cite this record
CBID:10293 http://www.chembase.cn/molecule-10293.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxyheptyl 2-methylprop-2-enoate
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IUPAC Traditional name
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4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxyheptyl 2-methylprop-2-enoate
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Synonyms
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3-(Nonafluorobutyl)-2-hydroxypropyl methacrylate
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3-(Perfluorobutyl)-2-hydroxypropyl methacrylate
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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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14.232126
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H Acceptors
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2
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H Donor
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1
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LogD (pH = 5.5)
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4.004718
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LogD (pH = 7.4)
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4.004718
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Log P
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4.004718
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Molar Refractivity
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56.286 cm3
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Polarizability
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21.52229 Å3
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Polar Surface Area
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46.53 Å2
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Rotatable Bonds
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9
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent