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methyl,3-fluoro-3-(3-oxocyclopentyl)sulfanyl-2-(trifluoromethyl)prop-

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摘 要: methyl,3-fluoro-3-(3-oxocyclopentyl)sulfanyl-2-(trifluoromethyl)prop-2-enoate,Canonical SMILES: COC(=O)C(=C(F)SC1CCC(=O)C1)C(F)(F)F,InChI: InChI=1/C10H10F4O3S/c1-17-9(16)7(10(12,13)14)8(11)18-6-3-2-5(15)4-6/h6H,,2-4H2,1H3,Molecular Weight286.243213
[Synonyms]

[Structure]
 methyl,3-fluoro-3-(3-oxocyclopentyl)sulfanyl-2-(trifluoromethyl)prop-

[ Properties Computed from Structure]
Molecular Weight286.243213 [g/mol]
Molecular FormulaC10H10F4O3S
XLogP1.6
H-Bond Donor0
H-Bond Acceptor7
Rotatable Bond Count4
Tautomer Count3
Exact Mass286.028678
MonoIsotopic Mass286.028678
Topological Polar Surface Area43.4
Heavy Atom Count18
Formal Charge0
Complexity389
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count1
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: methyl
3-fluoro-3-(3-oxocyclopentyl)sulfanyl-2-(trifluoromethyl)prop-2-enoate
Canonical SMILES: COC(=O)C(=C(F)SC1CCC(=O)C1)C(F)(F)F
InChI: InChI=1/C10H10F4O3S/c1-17-9(16)7(10(12,13)14)8(11)18-6-3-2-5(15)4-6/h6H,
2-4H2,1H3

 
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