2-tert-butyl-3-fluoro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide

C11H12FNO3S — CID 162410932

IUPAC2-tert-butyl-3-fluoro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide
SMILESCC(C)(C)C1=C(F)S(=O)(=O)c2ncccc2O1
InChIInChI=1S/C11H12FNO3S/c1-11(2,3)8-9(12)17(14,15)10-7(16-8)5-4-6-13-10/h4-6H,1-3H3
InChIKeyHZFRJGHYUIHHRI-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.43
Rot. Bonds

About 2-tert-butyl-3-fluoro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide

2-tert-butyl-3-fluoro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide (PubChem CID 162410932) has the molecular formula C11H12FNO3S and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-tert-butyl-3-fluoro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide.

Molecular Properties

Compound Name2-tert-butyl-3-fluoro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide
PubChem CID162410932
Molecular FormulaC11H12FNO3S
Molecular Weight257.29 g/mol
Exact Mass257.05
IUPAC Name2-tert-butyl-3-fluoro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide
SMILESCC(C)(C)C1=C(F)S(=O)(=O)c2ncccc2O1
InChIInChI=1S/C11H12FNO3S/c1-11(2,3)8-9(12)17(14,15)10-7(16-8)5-4-6-13-10/h4-6H,1-3H3
InChIKeyHZFRJGHYUIHHRI-UHFFFAOYSA-N
XLogP2.43
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-fluoro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide?
The IUPAC name of 2-tert-butyl-3-fluoro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide (CID 162410932) is 2-tert-butyl-3-fluoro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide.
What is the SMILES notation for 2-tert-butyl-3-fluoro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide?
The canonical SMILES for 2-tert-butyl-3-fluoro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide is CC(C)(C)C1=C(F)S(=O)(=O)c2ncccc2O1.
What is the InChIKey of 2-tert-butyl-3-fluoro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide?
The InChIKey is HZFRJGHYUIHHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3S/c1-11(2,3)8-9(12)17(14,15)10-7(16-8)5-4-6-13-10/h4-6H,1-3H3.
What are the key properties of 2-tert-butyl-3-fluoro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide?
2-tert-butyl-3-fluoro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide has a molecular weight of 257.29 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-fluoro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide is sourced from PubChem (CID 162410932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).