3-(5-bromo-2-fluorophenyl)sulfanyloxane

C11H12BrFOS — CID 121364112

IUPAC3-(5-bromo-2-fluorophenyl)sulfanyloxane
SMILESFc1ccc(Br)cc1SC1CCCOC1
InChIInChI=1S/C11H12BrFOS/c12-8-3-4-10(13)11(6-8)15-9-2-1-5-14-7-9/h3-4,6,9H,1-2,5,7H2
InChIKeyLQZMSYNLRVPKFY-UHFFFAOYSA-N
MW291.18 g/mol
LogP3.86
Rot. Bonds2

About 3-(5-bromo-2-fluorophenyl)sulfanyloxane

3-(5-bromo-2-fluorophenyl)sulfanyloxane (PubChem CID 121364112) has the molecular formula C11H12BrFOS and a molecular weight of 291.18 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)sulfanyloxane.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)sulfanyloxane
PubChem CID121364112
Molecular FormulaC11H12BrFOS
Molecular Weight291.18 g/mol
Exact Mass289.98
IUPAC Name3-(5-bromo-2-fluorophenyl)sulfanyloxane
SMILESFc1ccc(Br)cc1SC1CCCOC1
InChIInChI=1S/C11H12BrFOS/c12-8-3-4-10(13)11(6-8)15-9-2-1-5-14-7-9/h3-4,6,9H,1-2,5,7H2
InChIKeyLQZMSYNLRVPKFY-UHFFFAOYSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)sulfanyloxane?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)sulfanyloxane (CID 121364112) is 3-(5-bromo-2-fluorophenyl)sulfanyloxane.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)sulfanyloxane?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)sulfanyloxane is Fc1ccc(Br)cc1SC1CCCOC1.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)sulfanyloxane?
The InChIKey is LQZMSYNLRVPKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFOS/c12-8-3-4-10(13)11(6-8)15-9-2-1-5-14-7-9/h3-4,6,9H,1-2,5,7H2.
What are the key properties of 3-(5-bromo-2-fluorophenyl)sulfanyloxane?
3-(5-bromo-2-fluorophenyl)sulfanyloxane has a molecular weight of 291.18 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenyl)sulfanyloxane is sourced from PubChem (CID 121364112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).