10-(difluoromethoxy)decane-1-sulfonic acid

C11H22F2O4S — CID 89049749

IUPAC10-(difluoromethoxy)decane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCCCCOC(F)F
InChIInChI=1S/C11H22F2O4S/c12-11(13)17-9-7-5-3-1-2-4-6-8-10-18(14,15)16/h11H,1-10H2,(H,14,15,16)
InChIKeySKNALNICTYHMCY-UHFFFAOYSA-N
MW288.36 g/mol
LogP3.23
Rot. Bonds12

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

10-(difluoromethoxy)decane-1-sulfonic acid (PubChem CID 89049749) has the molecular formula C11H22F2O4S and a molecular weight of 288.36 g/mol. Its IUPAC name is 10-(difluoromethoxy)decane-1-sulfonic acid.

Molecular Properties

Compound Name10-(difluoromethoxy)decane-1-sulfonic acid
PubChem CID89049749
Molecular FormulaC11H22F2O4S
Molecular Weight288.36 g/mol
Exact Mass288.12
IUPAC Name10-(difluoromethoxy)decane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCCCCOC(F)F
InChIInChI=1S/C11H22F2O4S/c12-11(13)17-9-7-5-3-1-2-4-6-8-10-18(14,15)16/h11H,1-10H2,(H,14,15,16)
InChIKeySKNALNICTYHMCY-UHFFFAOYSA-N
XLogP3.23
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.23
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-(difluoromethoxy)decane-1-sulfonic acid?
The IUPAC name of 10-(difluoromethoxy)decane-1-sulfonic acid (CID 89049749) is 10-(difluoromethoxy)decane-1-sulfonic acid.
What is the SMILES notation for 10-(difluoromethoxy)decane-1-sulfonic acid?
The canonical SMILES for 10-(difluoromethoxy)decane-1-sulfonic acid is O=S(=O)(O)CCCCCCCCCCOC(F)F.
What is the InChIKey of 10-(difluoromethoxy)decane-1-sulfonic acid?
The InChIKey is SKNALNICTYHMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2O4S/c12-11(13)17-9-7-5-3-1-2-4-6-8-10-18(14,15)16/h11H,1-10H2,(H,14,15,16).
What are the key properties of 10-(difluoromethoxy)decane-1-sulfonic acid?
10-(difluoromethoxy)decane-1-sulfonic acid has a molecular weight of 288.36 g/mol, XLogP of 3.23, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(difluoromethoxy)decane-1-sulfonic acid is sourced from PubChem (CID 89049749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).