[dimethyl(prop-2-enyl)-λ4-sulfanyl] 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate

C10H11F11O3S2 — CID 139975003

IUPAC[dimethyl(prop-2-enyl)-λ4-sulfanyl] 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate
SMILESC=CCS(C)(C)OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H11F11O3S2/c1-4-5-25(2,3)24-26(22,23)10(20,21)8(15,16)6(11,12)7(13,14)9(17,18)19/h4H,1,5H2,2-3H3
InChIKeyRGPFIVWEBSISDM-UHFFFAOYSA-N
MW452.31 g/mol
LogP4.56
Rot. Bonds8

About [dimethyl(prop-2-enyl)-λ4-sulfanyl] 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate

[dimethyl(prop-2-enyl)-λ4-sulfanyl] 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate (PubChem CID 139975003) has the molecular formula C10H11F11O3S2 and a molecular weight of 452.31 g/mol. Its IUPAC name is [dimethyl(prop-2-enyl)-λ4-sulfanyl] 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate.

Molecular Properties

Compound Name[dimethyl(prop-2-enyl)-λ4-sulfanyl] 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate
PubChem CID139975003
Molecular FormulaC10H11F11O3S2
Molecular Weight452.31 g/mol
Exact Mass452.00
IUPAC Name[dimethyl(prop-2-enyl)-λ4-sulfanyl] 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate
SMILESC=CCS(C)(C)OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H11F11O3S2/c1-4-5-25(2,3)24-26(22,23)10(20,21)8(15,16)6(11,12)7(13,14)9(17,18)19/h4H,1,5H2,2-3H3
InChIKeyRGPFIVWEBSISDM-UHFFFAOYSA-N
XLogP4.56
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.31
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [dimethyl(prop-2-enyl)-λ4-sulfanyl] 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate with MolForge

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Related Compounds

1,1,1,2,2,3,3,4,4-Nonafluoro-4-(prop-1-ene-1-sulfonyl)butane
CID 71369456
[[(E)-4-[dimethyl(trifluoromethylsulfonyloxy)-lambda4-sulfanyl]but-2-enyl]-dimethyl-lambda4-sulfanyl] trifluoromethanesulfonate
CID 15352515
Allyl-diethylsulfonium bis(trifluoromethylsulfonyl)imide
CID 132279728
[(E)-4-dimethylsulfoniobut-2-enyl]-dimethylsulfanium;bis(trifluoromethanesulfonate)
CID 176443521
1-Ethylsulfonyl-4,4,5,5,5-pentafluoropent-1-ene
CID 57286604
[Dimethyl(prop-2-enyl)-lambda4-sulfanyl] 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate
CID 139974933
[Dimethyl(prop-2-enyl)-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 139974951
Prop-2-enylsulfanyl 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate
CID 139974983
[Dimethyl(prop-2-enyl)-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 139975084
(E)-3,3,3-trifluoro-1-propan-2-ylsulfonylprop-1-ene
CID 140052889
(Z)-3,3,3-trifluoro-1-propan-2-ylsulfonylprop-1-ene
CID 140052895
1,3-Bis(trifluoromethylsulfonyl)but-1-ene
CID 140385102

Frequently Asked Questions

What is the IUPAC name of [dimethyl(prop-2-enyl)-λ4-sulfanyl] 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate?
The IUPAC name of [dimethyl(prop-2-enyl)-λ4-sulfanyl] 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate (CID 139975003) is [dimethyl(prop-2-enyl)-λ4-sulfanyl] 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate.
What is the SMILES notation for [dimethyl(prop-2-enyl)-λ4-sulfanyl] 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate?
The canonical SMILES for [dimethyl(prop-2-enyl)-λ4-sulfanyl] 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate is C=CCS(C)(C)OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of [dimethyl(prop-2-enyl)-λ4-sulfanyl] 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate?
The InChIKey is RGPFIVWEBSISDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F11O3S2/c1-4-5-25(2,3)24-26(22,23)10(20,21)8(15,16)6(11,12)7(13,14)9(17,18)19/h4H,1,5H2,2-3H3.
What are the key properties of [dimethyl(prop-2-enyl)-λ4-sulfanyl] 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate?
[dimethyl(prop-2-enyl)-λ4-sulfanyl] 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate has a molecular weight of 452.31 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(prop-2-enyl)-λ4-sulfanyl] 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate is sourced from PubChem (CID 139975003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).