[dimethyl(phenyl)-λ4-sulfanyl] 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate

C11H11F7O3S2 — CID 87263744

IUPAC[dimethyl(phenyl)-λ4-sulfanyl] 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate
SMILESCS(C)(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H11F7O3S2/c1-22(2,8-6-4-3-5-7-8)21-23(19,20)11(17,18)9(12,13)10(14,15)16/h3-7H,1-2H3
InChIKeyIMHYCHKBHBTRGY-UHFFFAOYSA-N
MW388.33 g/mol
LogP4.16
Rot. Bonds5

About [dimethyl(phenyl)-λ4-sulfanyl] 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate

[dimethyl(phenyl)-λ4-sulfanyl] 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate (PubChem CID 87263744) has the molecular formula C11H11F7O3S2 and a molecular weight of 388.33 g/mol. Its IUPAC name is [dimethyl(phenyl)-λ4-sulfanyl] 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate.

Molecular Properties

Compound Name[dimethyl(phenyl)-λ4-sulfanyl] 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate
PubChem CID87263744
Molecular FormulaC11H11F7O3S2
Molecular Weight388.33 g/mol
Exact Mass388.00
IUPAC Name[dimethyl(phenyl)-λ4-sulfanyl] 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate
SMILESCS(C)(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H11F7O3S2/c1-22(2,8-6-4-3-5-7-8)21-23(19,20)11(17,18)9(12,13)10(14,15)16/h3-7H,1-2H3
InChIKeyIMHYCHKBHBTRGY-UHFFFAOYSA-N
XLogP4.16
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.33
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

[dimethyl(phenyl)-λ4-sulfanyl] trifluoromethanesulfonate
CID 12977680
(triphenyl-lambda4-sulfanyl) 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 12067461
[[4-[methoxy-(4-phenylsulfanylphenyl)methyl]phenyl]-dimethyl-λ4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 142753070
[benzyl(dimethyl)-λ4-sulfanyl] 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate
CID 139975045
[benzyl(diphenyl)-λ4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 141110031
[(3-methylphenyl)-diphenyl-λ4-sulfanyl] 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 87483023
[diphenyl-(2,4,6-trimethylphenyl)-λ4-sulfanyl] 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate
CID 87483628
[naphthalen-1-yl(diphenyl)-λ4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 87557411
(triphenyl-λ4-sulfanyl) trifluoromethanesulfonate
CID 141079280
[dimethyl(phenyl)silyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 15666297
[N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)anilino] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 87902046
[diethyl(phenyl)-λ4-sulfanyl] trifluoromethanesulfonate
CID 87831914

Frequently Asked Questions

What is the IUPAC name of [dimethyl(phenyl)-λ4-sulfanyl] 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate?
The IUPAC name of [dimethyl(phenyl)-λ4-sulfanyl] 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate (CID 87263744) is [dimethyl(phenyl)-λ4-sulfanyl] 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate.
What is the SMILES notation for [dimethyl(phenyl)-λ4-sulfanyl] 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate?
The canonical SMILES for [dimethyl(phenyl)-λ4-sulfanyl] 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate is CS(C)(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1.
What is the InChIKey of [dimethyl(phenyl)-λ4-sulfanyl] 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate?
The InChIKey is IMHYCHKBHBTRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F7O3S2/c1-22(2,8-6-4-3-5-7-8)21-23(19,20)11(17,18)9(12,13)10(14,15)16/h3-7H,1-2H3.
What are the key properties of [dimethyl(phenyl)-λ4-sulfanyl] 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate?
[dimethyl(phenyl)-λ4-sulfanyl] 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate has a molecular weight of 388.33 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(phenyl)-λ4-sulfanyl] 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate is sourced from PubChem (CID 87263744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).