1,1,10-trifluorodec-9-ene-1-sulfonic acid

C10H17F3O3S — CID 87918038

IUPAC1,1,10-trifluorodec-9-ene-1-sulfonic acid
SMILESO=S(=O)(O)C(F)(F)CCCCCCCC=CF
InChIInChI=1S/C10H17F3O3S/c11-9-7-5-3-1-2-4-6-8-10(12,13)17(14,15)16/h7,9H,1-6,8H2,(H,14,15,16)
InChIKeyVQMHBKGETUFCCN-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.68
Rot. Bonds9

About 1,1,10-trifluorodec-9-ene-1-sulfonic acid

1,1,10-trifluorodec-9-ene-1-sulfonic acid (PubChem CID 87918038) has the molecular formula C10H17F3O3S and a molecular weight of 274.30 g/mol. Its IUPAC name is 1,1,10-trifluorodec-9-ene-1-sulfonic acid.

Molecular Properties

Compound Name1,1,10-trifluorodec-9-ene-1-sulfonic acid
PubChem CID87918038
Molecular FormulaC10H17F3O3S
Molecular Weight274.30 g/mol
Exact Mass274.09
IUPAC Name1,1,10-trifluorodec-9-ene-1-sulfonic acid
SMILESO=S(=O)(O)C(F)(F)CCCCCCCC=CF
InChIInChI=1S/C10H17F3O3S/c11-9-7-5-3-1-2-4-6-8-10(12,13)17(14,15)16/h7,9H,1-6,8H2,(H,14,15,16)
InChIKeyVQMHBKGETUFCCN-UHFFFAOYSA-N
XLogP3.68
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,10-trifluorodec-9-ene-1-sulfonic acid?
The IUPAC name of 1,1,10-trifluorodec-9-ene-1-sulfonic acid (CID 87918038) is 1,1,10-trifluorodec-9-ene-1-sulfonic acid.
What is the SMILES notation for 1,1,10-trifluorodec-9-ene-1-sulfonic acid?
The canonical SMILES for 1,1,10-trifluorodec-9-ene-1-sulfonic acid is O=S(=O)(O)C(F)(F)CCCCCCCC=CF.
What is the InChIKey of 1,1,10-trifluorodec-9-ene-1-sulfonic acid?
The InChIKey is VQMHBKGETUFCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O3S/c11-9-7-5-3-1-2-4-6-8-10(12,13)17(14,15)16/h7,9H,1-6,8H2,(H,14,15,16).
What are the key properties of 1,1,10-trifluorodec-9-ene-1-sulfonic acid?
1,1,10-trifluorodec-9-ene-1-sulfonic acid has a molecular weight of 274.30 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,10-trifluorodec-9-ene-1-sulfonic acid is sourced from PubChem (CID 87918038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).