1,1,2,2,3-pentafluoro-3-sulfamoylpent-4-ene-1-sulfinic acid

C5H6F5NO4S2 — CID 155480913

IUPAC1,1,2,2,3-pentafluoro-3-sulfamoylpent-4-ene-1-sulfinic acid
SMILESC=CC(F)(C(F)(F)C(F)(F)S(=O)O)S(N)(=O)=O
InChIInChI=1S/C5H6F5NO4S2/c1-2-3(6,17(11,14)15)4(7,8)5(9,10)16(12)13/h2H,1H2,(H,12,13)(H2,11,14,15)
InChIKeyJNMNBDPBZYPFBO-UHFFFAOYSA-N
MW303.23 g/mol
LogP0.58
Rot. Bonds5

About 1,1,2,2,3-pentafluoro-3-sulfamoylpent-4-ene-1-sulfinic acid

1,1,2,2,3-pentafluoro-3-sulfamoylpent-4-ene-1-sulfinic acid (PubChem CID 155480913) has the molecular formula C5H6F5NO4S2 and a molecular weight of 303.23 g/mol. Its IUPAC name is 1,1,2,2,3-pentafluoro-3-sulfamoylpent-4-ene-1-sulfinic acid.

Molecular Properties

Compound Name1,1,2,2,3-pentafluoro-3-sulfamoylpent-4-ene-1-sulfinic acid
PubChem CID155480913
Molecular FormulaC5H6F5NO4S2
Molecular Weight303.23 g/mol
Exact Mass302.97
IUPAC Name1,1,2,2,3-pentafluoro-3-sulfamoylpent-4-ene-1-sulfinic acid
SMILESC=CC(F)(C(F)(F)C(F)(F)S(=O)O)S(N)(=O)=O
InChIInChI=1S/C5H6F5NO4S2/c1-2-3(6,17(11,14)15)4(7,8)5(9,10)16(12)13/h2H,1H2,(H,12,13)(H2,11,14,15)
InChIKeyJNMNBDPBZYPFBO-UHFFFAOYSA-N
XLogP0.58
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,3-heptafluoropropane-1-sulfinic acid
CID 22186452
1,1,2,2,3,3-hexafluoro-3-(methylideneamino)sulfonylpropane-1-sulfinic acid
CID 89288958
CID 170845218
CID 170845218
sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfinic acid
CID 20977184
1,1,2,2,3,3-hexafluoro-3-sulfanylpropane-1-sulfinic acid
CID 162554930
1,1,2,2,3-pentafluoro-3-methylbutane-1-sulfinic acid
CID 87602942
1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propane-1-sulfinic acid
CID 123339020
azane;bis(trifluoromethanesulfonamide)
CID 171927833
indigane;trifluoromethanesulfonamide
CID 174794253
CID 87103721
CID 87103721
CID 87784182
CID 87784182
calcium;hydride;trifluoromethanesulfonamide
CID 175005756

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3-pentafluoro-3-sulfamoylpent-4-ene-1-sulfinic acid?
The IUPAC name of 1,1,2,2,3-pentafluoro-3-sulfamoylpent-4-ene-1-sulfinic acid (CID 155480913) is 1,1,2,2,3-pentafluoro-3-sulfamoylpent-4-ene-1-sulfinic acid.
What is the SMILES notation for 1,1,2,2,3-pentafluoro-3-sulfamoylpent-4-ene-1-sulfinic acid?
The canonical SMILES for 1,1,2,2,3-pentafluoro-3-sulfamoylpent-4-ene-1-sulfinic acid is C=CC(F)(C(F)(F)C(F)(F)S(=O)O)S(N)(=O)=O.
What is the InChIKey of 1,1,2,2,3-pentafluoro-3-sulfamoylpent-4-ene-1-sulfinic acid?
The InChIKey is JNMNBDPBZYPFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F5NO4S2/c1-2-3(6,17(11,14)15)4(7,8)5(9,10)16(12)13/h2H,1H2,(H,12,13)(H2,11,14,15).
What are the key properties of 1,1,2,2,3-pentafluoro-3-sulfamoylpent-4-ene-1-sulfinic acid?
1,1,2,2,3-pentafluoro-3-sulfamoylpent-4-ene-1-sulfinic acid has a molecular weight of 303.23 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3-pentafluoro-3-sulfamoylpent-4-ene-1-sulfinic acid is sourced from PubChem (CID 155480913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).