1,2,3-trifluoroundec-10-ene-4-sulfonic acid

C11H19F3O3S — CID 89231114

IUPAC1,2,3-trifluoroundec-10-ene-4-sulfonic acid
SMILESC=CCCCCCC(C(F)C(F)CF)S(=O)(=O)O
InChIInChI=1S/C11H19F3O3S/c1-2-3-4-5-6-7-10(18(15,16)17)11(14)9(13)8-12/h2,9-11H,1,3-8H2,(H,15,16,17)
InChIKeyDEUXOMISEINIHH-UHFFFAOYSA-N
MW288.33 g/mol
LogP3.03
Rot. Bonds10

About 1,2,3-trifluoroundec-10-ene-4-sulfonic acid

1,2,3-trifluoroundec-10-ene-4-sulfonic acid (PubChem CID 89231114) has the molecular formula C11H19F3O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 1,2,3-trifluoroundec-10-ene-4-sulfonic acid.

Molecular Properties

Compound Name1,2,3-trifluoroundec-10-ene-4-sulfonic acid
PubChem CID89231114
Molecular FormulaC11H19F3O3S
Molecular Weight288.33 g/mol
Exact Mass288.10
IUPAC Name1,2,3-trifluoroundec-10-ene-4-sulfonic acid
SMILESC=CCCCCCC(C(F)C(F)CF)S(=O)(=O)O
InChIInChI=1S/C11H19F3O3S/c1-2-3-4-5-6-7-10(18(15,16)17)11(14)9(13)8-12/h2,9-11H,1,3-8H2,(H,15,16,17)
InChIKeyDEUXOMISEINIHH-UHFFFAOYSA-N
XLogP3.03
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 1,2,3-trifluoroundec-10-ene-4-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trifluoroundec-10-ene-4-sulfonic acid?
The IUPAC name of 1,2,3-trifluoroundec-10-ene-4-sulfonic acid (CID 89231114) is 1,2,3-trifluoroundec-10-ene-4-sulfonic acid.
What is the SMILES notation for 1,2,3-trifluoroundec-10-ene-4-sulfonic acid?
The canonical SMILES for 1,2,3-trifluoroundec-10-ene-4-sulfonic acid is C=CCCCCCC(C(F)C(F)CF)S(=O)(=O)O.
What is the InChIKey of 1,2,3-trifluoroundec-10-ene-4-sulfonic acid?
The InChIKey is DEUXOMISEINIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O3S/c1-2-3-4-5-6-7-10(18(15,16)17)11(14)9(13)8-12/h2,9-11H,1,3-8H2,(H,15,16,17).
What are the key properties of 1,2,3-trifluoroundec-10-ene-4-sulfonic acid?
1,2,3-trifluoroundec-10-ene-4-sulfonic acid has a molecular weight of 288.33 g/mol, XLogP of 3.03, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trifluoroundec-10-ene-4-sulfonic acid is sourced from PubChem (CID 89231114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).