3-fluoropropyl prop-2-ene-1-sulfonate

C6H11FO3S — CID 142698093

IUPAC3-fluoropropyl prop-2-ene-1-sulfonate
SMILESC=CCS(=O)(=O)OCCCF
InChIInChI=1S/C6H11FO3S/c1-2-6-11(8,9)10-5-3-4-7/h2H,1,3-6H2
InChIKeyCSORTZZASIYTQL-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.88
Rot. Bonds6

About 3-fluoropropyl prop-2-ene-1-sulfonate

3-fluoropropyl prop-2-ene-1-sulfonate (PubChem CID 142698093) has the molecular formula C6H11FO3S and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-fluoropropyl prop-2-ene-1-sulfonate.

Molecular Properties

Compound Name3-fluoropropyl prop-2-ene-1-sulfonate
PubChem CID142698093
Molecular FormulaC6H11FO3S
Molecular Weight182.22 g/mol
Exact Mass182.04
IUPAC Name3-fluoropropyl prop-2-ene-1-sulfonate
SMILESC=CCS(=O)(=O)OCCCF
InChIInChI=1S/C6H11FO3S/c1-2-6-11(8,9)10-5-3-4-7/h2H,1,3-6H2
InChIKeyCSORTZZASIYTQL-UHFFFAOYSA-N
XLogP0.88
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

lithium;carbanide;pentyl prop-2-ene-1-sulfonate
CID 174547804
prop-2-enylsulfonyl prop-2-ene-1-sulfonate
CID 18671222
CID 173312842
CID 173312842
CID 174758420
CID 174758420
henicosyl 12-fluorododecane-1-sulfonate
CID 175160167
tridecyl 12-fluorododecane-1-sulfonate
CID 175157147
2-ethylhexyl prop-2-ene-1-sulfonate
CID 175550499
azane;tetradecyl 9-fluorononane-1-sulfonate
CID 175528973
azane;undecyl 7-fluoroheptane-1-sulfonate
CID 175157459
azane;octadecyl 10-fluorodecane-1-sulfonate
CID 175159636
azane;undecyl 12-fluorododecane-1-sulfonate
CID 175529335
azane;henicosyl 10-fluorodecane-1-sulfonate
CID 175528920

Frequently Asked Questions

What is the IUPAC name of 3-fluoropropyl prop-2-ene-1-sulfonate?
The IUPAC name of 3-fluoropropyl prop-2-ene-1-sulfonate (CID 142698093) is 3-fluoropropyl prop-2-ene-1-sulfonate.
What is the SMILES notation for 3-fluoropropyl prop-2-ene-1-sulfonate?
The canonical SMILES for 3-fluoropropyl prop-2-ene-1-sulfonate is C=CCS(=O)(=O)OCCCF.
What is the InChIKey of 3-fluoropropyl prop-2-ene-1-sulfonate?
The InChIKey is CSORTZZASIYTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO3S/c1-2-6-11(8,9)10-5-3-4-7/h2H,1,3-6H2.
What are the key properties of 3-fluoropropyl prop-2-ene-1-sulfonate?
3-fluoropropyl prop-2-ene-1-sulfonate has a molecular weight of 182.22 g/mol, XLogP of 0.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropropyl prop-2-ene-1-sulfonate is sourced from PubChem (CID 142698093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).