6-fluoro-2,3-dimethoxybenzenesulfonyl fluoride

C8H8F2O4S — CID 138987464

IUPAC6-fluoro-2,3-dimethoxybenzenesulfonyl fluoride
SMILESCOc1ccc(F)c(S(=O)(=O)F)c1OC
InChIInChI=1S/C8H8F2O4S/c1-13-6-4-3-5(9)8(7(6)14-2)15(10,11)12/h3-4H,1-2H3
InChIKeyBBBOWMQUXDOKCG-UHFFFAOYSA-N
MW238.21 g/mol
LogP1.50
Rot. Bonds3

About 6-fluoro-2,3-dimethoxybenzenesulfonyl fluoride

6-fluoro-2,3-dimethoxybenzenesulfonyl fluoride (PubChem CID 138987464) has the molecular formula C8H8F2O4S and a molecular weight of 238.21 g/mol. Its IUPAC name is 6-fluoro-2,3-dimethoxybenzenesulfonyl fluoride.

Molecular Properties

Compound Name6-fluoro-2,3-dimethoxybenzenesulfonyl fluoride
PubChem CID138987464
Molecular FormulaC8H8F2O4S
Molecular Weight238.21 g/mol
Exact Mass238.01
IUPAC Name6-fluoro-2,3-dimethoxybenzenesulfonyl fluoride
SMILESCOc1ccc(F)c(S(=O)(=O)F)c1OC
InChIInChI=1S/C8H8F2O4S/c1-13-6-4-3-5(9)8(7(6)14-2)15(10,11)12/h3-4H,1-2H3
InChIKeyBBBOWMQUXDOKCG-UHFFFAOYSA-N
XLogP1.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,3-dimethoxybenzenesulfonyl fluoride?
The IUPAC name of 6-fluoro-2,3-dimethoxybenzenesulfonyl fluoride (CID 138987464) is 6-fluoro-2,3-dimethoxybenzenesulfonyl fluoride.
What is the SMILES notation for 6-fluoro-2,3-dimethoxybenzenesulfonyl fluoride?
The canonical SMILES for 6-fluoro-2,3-dimethoxybenzenesulfonyl fluoride is COc1ccc(F)c(S(=O)(=O)F)c1OC.
What is the InChIKey of 6-fluoro-2,3-dimethoxybenzenesulfonyl fluoride?
The InChIKey is BBBOWMQUXDOKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O4S/c1-13-6-4-3-5(9)8(7(6)14-2)15(10,11)12/h3-4H,1-2H3.
What are the key properties of 6-fluoro-2,3-dimethoxybenzenesulfonyl fluoride?
6-fluoro-2,3-dimethoxybenzenesulfonyl fluoride has a molecular weight of 238.21 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,3-dimethoxybenzenesulfonyl fluoride is sourced from PubChem (CID 138987464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).