prop-2-enylsulfanyl 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate

C8H5F11O3S2 — CID 139974983

IUPACprop-2-enylsulfanyl 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate
SMILESC=CCSOS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F11O3S2/c1-2-3-23-22-24(20,21)8(18,19)6(13,14)4(9,10)5(11,12)7(15,16)17/h2H,1,3H2
InChIKeyLPIJDMHMSCMGGI-UHFFFAOYSA-N
MW422.24 g/mol
LogP4.23
Rot. Bonds8

About prop-2-enylsulfanyl 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate

prop-2-enylsulfanyl 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate (PubChem CID 139974983) has the molecular formula C8H5F11O3S2 and a molecular weight of 422.24 g/mol. Its IUPAC name is prop-2-enylsulfanyl 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate.

Molecular Properties

Compound Nameprop-2-enylsulfanyl 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate
PubChem CID139974983
Molecular FormulaC8H5F11O3S2
Molecular Weight422.24 g/mol
Exact Mass421.95
IUPAC Nameprop-2-enylsulfanyl 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate
SMILESC=CCSOS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F11O3S2/c1-2-3-23-22-24(20,21)8(18,19)6(13,14)4(9,10)5(11,12)7(15,16)17/h2H,1,3H2
InChIKeyLPIJDMHMSCMGGI-UHFFFAOYSA-N
XLogP4.23
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.24
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2,2-Trifluoroethylsulfonylsulfonyl)prop-1-ene
CID 87303488
3-(Trifluoromethylsulfonylsulfonyl)prop-1-ene
CID 87442667
Trifluoromethyl prop-2-ene-1-sulfonate
CID 87577592
Trifluoromethylsulfonyl prop-2-ene-1-sulfonate
CID 88246578
Prop-2-enylsulfanyl trifluoromethanesulfonate
CID 88305751
Prop-2-enylsulfanyl 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate
CID 139974888
Prop-2-enylsulfanyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 139974923
[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
[Dimethyl(prop-2-enyl)-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate
CID 139975003
Prop-2-enylsulfanyl 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 139975041
1,1,2,2,2-Pentafluoroethyl prop-2-ene-1-sulfonate
CID 142698103

Frequently Asked Questions

What is the IUPAC name of prop-2-enylsulfanyl 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate?
The IUPAC name of prop-2-enylsulfanyl 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate (CID 139974983) is prop-2-enylsulfanyl 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate.
What is the SMILES notation for prop-2-enylsulfanyl 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate?
The canonical SMILES for prop-2-enylsulfanyl 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate is C=CCSOS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of prop-2-enylsulfanyl 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate?
The InChIKey is LPIJDMHMSCMGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F11O3S2/c1-2-3-23-22-24(20,21)8(18,19)6(13,14)4(9,10)5(11,12)7(15,16)17/h2H,1,3H2.
What are the key properties of prop-2-enylsulfanyl 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate?
prop-2-enylsulfanyl 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate has a molecular weight of 422.24 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enylsulfanyl 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate is sourced from PubChem (CID 139974983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).