3-bromo-6-fluorodibenzothiophene 5,5-dioxide

C12H6BrFO2S — CID 72703252

IUPAC3-bromo-6-fluorodibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2cc(Br)ccc2-c2cccc(F)c21
InChIInChI=1S/C12H6BrFO2S/c13-7-4-5-8-9-2-1-3-10(14)12(9)17(15,16)11(8)6-7/h1-6H
InChIKeyOZARHUGNRLXUTA-UHFFFAOYSA-N
MW313.15 g/mol
LogP3.40
Rot. Bonds

About 3-bromo-6-fluorodibenzothiophene 5,5-dioxide

3-bromo-6-fluorodibenzothiophene 5,5-dioxide (PubChem CID 72703252) has the molecular formula C12H6BrFO2S and a molecular weight of 313.15 g/mol. Its IUPAC name is 3-bromo-6-fluorodibenzothiophene 5,5-dioxide.

Molecular Properties

Compound Name3-bromo-6-fluorodibenzothiophene 5,5-dioxide
PubChem CID72703252
Molecular FormulaC12H6BrFO2S
Molecular Weight313.15 g/mol
Exact Mass311.93
IUPAC Name3-bromo-6-fluorodibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2cc(Br)ccc2-c2cccc(F)c21
InChIInChI=1S/C12H6BrFO2S/c13-7-4-5-8-9-2-1-3-10(14)12(9)17(15,16)11(8)6-7/h1-6H
InChIKeyOZARHUGNRLXUTA-UHFFFAOYSA-N
XLogP3.40
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-fluorodibenzothiophene 5,5-dioxide?
The IUPAC name of 3-bromo-6-fluorodibenzothiophene 5,5-dioxide (CID 72703252) is 3-bromo-6-fluorodibenzothiophene 5,5-dioxide.
What is the SMILES notation for 3-bromo-6-fluorodibenzothiophene 5,5-dioxide?
The canonical SMILES for 3-bromo-6-fluorodibenzothiophene 5,5-dioxide is O=S1(=O)c2cc(Br)ccc2-c2cccc(F)c21.
What is the InChIKey of 3-bromo-6-fluorodibenzothiophene 5,5-dioxide?
The InChIKey is OZARHUGNRLXUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrFO2S/c13-7-4-5-8-9-2-1-3-10(14)12(9)17(15,16)11(8)6-7/h1-6H.
What are the key properties of 3-bromo-6-fluorodibenzothiophene 5,5-dioxide?
3-bromo-6-fluorodibenzothiophene 5,5-dioxide has a molecular weight of 313.15 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-fluorodibenzothiophene 5,5-dioxide is sourced from PubChem (CID 72703252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).