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2-(N-ethylheptadecafluorooctanesulfonamido)ethyl 2-methylprop-2-enoate
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ChemBase ID:
93253
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Molecular Formular:
C16H14F17NO4S
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Molecular Mass:
639.3245144
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Monoisotopic Mass:
639.03720867
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SMILES and InChIs
SMILES:
S(=O)(=O)(C(C(C(F)(F)C(F)(F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N(CCOC(=O)C(=C)C)CC
Canonical SMILES:
CCN(S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCOC(=O)C(=C)C
InChI:
InChI=1S/C16H14F17NO4S/c1-4-34(5-6-38-8(35)7(2)3)39(36,37)16(32,33)14(27,28)12(23,24)10(19,20)9(17,18)11(21,22)13(25,26)15(29,30)31/h2,4-6H2,1,3H3
InChIKey:
DBCGADAHIXJHCE-UHFFFAOYSA-N
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Cite this record
CBID:93253 http://www.chembase.cn/molecule-93253.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-(N-ethylheptadecafluorooctanesulfonamido)ethyl 2-methylprop-2-enoate
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IUPAC Traditional name
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2-(N-ethylheptadecafluorooctanesulfonamido)ethyl 2-methylprop-2-enoate
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Synonyms
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2-[Ethyl(perfluorooct-1-yl)sulphonamido]ethyl methacrylate
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2-{Ethyl[(heptadecafluorooct-1-yl)sulphonyl]amino}ethyl 2-methylprop-2-enoate
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2-{Ethyl[(heptadecafluorooct-1-yl)sulphonyl]amino}ethyl 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
H Acceptors
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3
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H Donor
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0
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LogD (pH = 5.5)
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6.7953124
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LogD (pH = 7.4)
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6.7953124
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Log P
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6.7953124
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Molar Refractivity
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91.5049 cm3
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Polarizability
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35.338478 Å3
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Polar Surface Area
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63.68 Å2
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Rotatable Bonds
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14
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Lipinski's Rule of Five
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false
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PATENTS
PATENTS
PubChem Patent
Google Patent