10-(trifluoromethoxy)decane-1-sulfonic acid

C11H21F3O4S — CID 59745701

IUPAC10-(trifluoromethoxy)decane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCCCCOC(F)(F)F
InChIInChI=1S/C11H21F3O4S/c12-11(13,14)18-9-7-5-3-1-2-4-6-8-10-19(15,16)17/h1-10H2,(H,15,16,17)
InChIKeyJCZNZADMYMGXQC-UHFFFAOYSA-N
MW306.35 g/mol
LogP3.53
Rot. Bonds11

About 10-(trifluoromethoxy)decane-1-sulfonic acid

10-(trifluoromethoxy)decane-1-sulfonic acid (PubChem CID 59745701) has the molecular formula C11H21F3O4S and a molecular weight of 306.35 g/mol. Its IUPAC name is 10-(trifluoromethoxy)decane-1-sulfonic acid.

Molecular Properties

Compound Name10-(trifluoromethoxy)decane-1-sulfonic acid
PubChem CID59745701
Molecular FormulaC11H21F3O4S
Molecular Weight306.35 g/mol
Exact Mass306.11
IUPAC Name10-(trifluoromethoxy)decane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCCCCOC(F)(F)F
InChIInChI=1S/C11H21F3O4S/c12-11(13,14)18-9-7-5-3-1-2-4-6-8-10-19(15,16)17/h1-10H2,(H,15,16,17)
InChIKeyJCZNZADMYMGXQC-UHFFFAOYSA-N
XLogP3.53
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 10-(trifluoromethoxy)decane-1-sulfonic acid?
The IUPAC name of 10-(trifluoromethoxy)decane-1-sulfonic acid (CID 59745701) is 10-(trifluoromethoxy)decane-1-sulfonic acid.
What is the SMILES notation for 10-(trifluoromethoxy)decane-1-sulfonic acid?
The canonical SMILES for 10-(trifluoromethoxy)decane-1-sulfonic acid is O=S(=O)(O)CCCCCCCCCCOC(F)(F)F.
What is the InChIKey of 10-(trifluoromethoxy)decane-1-sulfonic acid?
The InChIKey is JCZNZADMYMGXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O4S/c12-11(13,14)18-9-7-5-3-1-2-4-6-8-10-19(15,16)17/h1-10H2,(H,15,16,17).
What are the key properties of 10-(trifluoromethoxy)decane-1-sulfonic acid?
10-(trifluoromethoxy)decane-1-sulfonic acid has a molecular weight of 306.35 g/mol, XLogP of 3.53, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(trifluoromethoxy)decane-1-sulfonic acid is sourced from PubChem (CID 59745701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).