10-(trifluoromethoxy)decane-1-sulfonate

C11H20F3O4S- — CID 59745700

IUPAC10-(trifluoromethoxy)decane-1-sulfonate
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)/p-1
InChIKeyJCZNZADMYMGXQC-UHFFFAOYSA-M
MW305.34 g/mol
LogP3.19
Rot. Bonds11

About 10-(trifluoromethoxy)decane-1-sulfonate

10-(trifluoromethoxy)decane-1-sulfonate (PubChem CID 59745700) has the molecular formula C11H20F3O4S- and a molecular weight of 305.34 g/mol. Its IUPAC name is 10-(trifluoromethoxy)decane-1-sulfonate.

Molecular Properties

Compound Name10-(trifluoromethoxy)decane-1-sulfonate
PubChem CID59745700
Molecular FormulaC11H20F3O4S-
Molecular Weight305.34 g/mol
Exact Mass305.10
IUPAC Name10-(trifluoromethoxy)decane-1-sulfonate
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)/p-1
InChIKeyJCZNZADMYMGXQC-UHFFFAOYSA-M
XLogP3.19
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-sulfonate?
The IUPAC name of 10-(trifluoromethoxy)decane-1-sulfonate (CID 59745700) is 10-(trifluoromethoxy)decane-1-sulfonate.
What is the SMILES notation for 10-(trifluoromethoxy)decane-1-sulfonate?
The canonical SMILES for 10-(trifluoromethoxy)decane-1-sulfonate is O=S(=O)([O-])CCCCCCCCCCOC(F)(F)F.
What is the InChIKey of 10-(trifluoromethoxy)decane-1-sulfonate?
The InChIKey is JCZNZADMYMGXQC-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 10-(trifluoromethoxy)decane-1-sulfonate?
10-(trifluoromethoxy)decane-1-sulfonate has a molecular weight of 305.34 g/mol, XLogP of 3.19, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(trifluoromethoxy)decane-1-sulfonate is sourced from PubChem (CID 59745700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).