sodium 2-fluoro-6-(trifluoromethoxy)benzenesulfinate

C7H3F4NaO3S — CID 165455561

IUPACsodium 2-fluoro-6-(trifluoromethoxy)benzenesulfinate
SMILESO=S([O-])c1c(F)cccc1OC(F)(F)F.[Na+]
InChIInChI=1S/C7H4F4O3S.Na/c8-4-2-1-3-5(6(4)15(12)13)14-7(9,10)11;/h1-3H,(H,12,13);/q;+1/p-1
InChIKeyMOIKWDKKWUJIBK-UHFFFAOYSA-M
MW266.15 g/mol
LogP-1.03
Rot. Bonds2

About sodium 2-fluoro-6-(trifluoromethoxy)benzenesulfinate

sodium 2-fluoro-6-(trifluoromethoxy)benzenesulfinate (PubChem CID 165455561) has the molecular formula C7H3F4NaO3S and a molecular weight of 266.15 g/mol. Its IUPAC name is sodium 2-fluoro-6-(trifluoromethoxy)benzenesulfinate.

Molecular Properties

Compound Namesodium 2-fluoro-6-(trifluoromethoxy)benzenesulfinate
PubChem CID165455561
Molecular FormulaC7H3F4NaO3S
Molecular Weight266.15 g/mol
Exact Mass265.96
IUPAC Namesodium 2-fluoro-6-(trifluoromethoxy)benzenesulfinate
SMILESO=S([O-])c1c(F)cccc1OC(F)(F)F.[Na+]
InChIInChI=1S/C7H4F4O3S.Na/c8-4-2-1-3-5(6(4)15(12)13)14-7(9,10)11;/h1-3H,(H,12,13);/q;+1/p-1
InChIKeyMOIKWDKKWUJIBK-UHFFFAOYSA-M
XLogP-1.03
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.15
LogP ≤ 5-1.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 2-fluoro-6-(trifluoromethoxy)benzenesulfinate?
The IUPAC name of sodium 2-fluoro-6-(trifluoromethoxy)benzenesulfinate (CID 165455561) is sodium 2-fluoro-6-(trifluoromethoxy)benzenesulfinate.
What is the SMILES notation for sodium 2-fluoro-6-(trifluoromethoxy)benzenesulfinate?
The canonical SMILES for sodium 2-fluoro-6-(trifluoromethoxy)benzenesulfinate is O=S([O-])c1c(F)cccc1OC(F)(F)F.[Na+].
What is the InChIKey of sodium 2-fluoro-6-(trifluoromethoxy)benzenesulfinate?
The InChIKey is MOIKWDKKWUJIBK-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H4F4O3S.Na/c8-4-2-1-3-5(6(4)15(12)13)14-7(9,10)11;/h1-3H,(H,12,13);/q;+1/p-1.
What are the key properties of sodium 2-fluoro-6-(trifluoromethoxy)benzenesulfinate?
sodium 2-fluoro-6-(trifluoromethoxy)benzenesulfinate has a molecular weight of 266.15 g/mol, XLogP of -1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-fluoro-6-(trifluoromethoxy)benzenesulfinate is sourced from PubChem (CID 165455561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).