5-bromo-2-(3-fluorophenyl)-3-methylsulfanyl-1-benzofuran

C15H10BrFOS — CID 123493237

IUPAC5-bromo-2-(3-fluorophenyl)-3-methylsulfanyl-1-benzofuran
SMILESCSc1c(-c2cccc(F)c2)oc2ccc(Br)cc12
InChIInChI=1S/C15H10BrFOS/c1-19-15-12-8-10(16)5-6-13(12)18-14(15)9-3-2-4-11(17)7-9/h2-8H,1H3
InChIKeyAJCBFCUYRHJANQ-UHFFFAOYSA-N
MW337.21 g/mol
LogP5.72
Rot. Bonds2

About 5-bromo-2-(3-fluorophenyl)-3-methylsulfanyl-1-benzofuran

5-bromo-2-(3-fluorophenyl)-3-methylsulfanyl-1-benzofuran (PubChem CID 123493237) has the molecular formula C15H10BrFOS and a molecular weight of 337.21 g/mol. Its IUPAC name is 5-bromo-2-(3-fluorophenyl)-3-methylsulfanyl-1-benzofuran.

Molecular Properties

Compound Name5-bromo-2-(3-fluorophenyl)-3-methylsulfanyl-1-benzofuran
PubChem CID123493237
Molecular FormulaC15H10BrFOS
Molecular Weight337.21 g/mol
Exact Mass335.96
IUPAC Name5-bromo-2-(3-fluorophenyl)-3-methylsulfanyl-1-benzofuran
SMILESCSc1c(-c2cccc(F)c2)oc2ccc(Br)cc12
InChIInChI=1S/C15H10BrFOS/c1-19-15-12-8-10(16)5-6-13(12)18-14(15)9-3-2-4-11(17)7-9/h2-8H,1H3
InChIKeyAJCBFCUYRHJANQ-UHFFFAOYSA-N
XLogP5.72
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.21
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-fluorophenyl)-3-methylsulfanyl-2-phenyl-1-benzofuran
CID 57498451
5-fluoro-2-(3-fluorophenyl)-3-[(R)-methylsulfinyl]-1-benzofuran
CID 139087024
5-(4-bromophenyl)-2-methyl-3-methylsulfanyl-1-benzofuran
CID 90724850
4-(4-bromophenyl)-5-(3-fluorophenyl)-2-methyl-1,3-oxazole
CID 22316852
(8-bromodibenzofuran-4-yl)boronic acid
CID 142752650
2-(3-fluorophenyl)-3-propan-2-ylchromen-4-one
CID 122542428
2-bromo-8-(3-phenylphenyl)dibenzofuran
CID 90250557
5-(3-fluorophenyl)-2-iodo-4-methyl-1,3-oxazole
CID 102974766
2-[4-[4-(3-fluorophenyl)phenyl]phenyl]dibenzofuran
CID 171056558
5-(3-fluorophenyl)-4-methyl-1,3-oxazole
CID 67982828
butyl 2-(5-bromo-3-methylsulfanyl-1-benzofuran-2-yl)acetate
CID 90818892
1-bromo-3-fluorobenzene;sulfane
CID 174932611

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-fluorophenyl)-3-methylsulfanyl-1-benzofuran?
The IUPAC name of 5-bromo-2-(3-fluorophenyl)-3-methylsulfanyl-1-benzofuran (CID 123493237) is 5-bromo-2-(3-fluorophenyl)-3-methylsulfanyl-1-benzofuran.
What is the SMILES notation for 5-bromo-2-(3-fluorophenyl)-3-methylsulfanyl-1-benzofuran?
The canonical SMILES for 5-bromo-2-(3-fluorophenyl)-3-methylsulfanyl-1-benzofuran is CSc1c(-c2cccc(F)c2)oc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-2-(3-fluorophenyl)-3-methylsulfanyl-1-benzofuran?
The InChIKey is AJCBFCUYRHJANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFOS/c1-19-15-12-8-10(16)5-6-13(12)18-14(15)9-3-2-4-11(17)7-9/h2-8H,1H3.
What are the key properties of 5-bromo-2-(3-fluorophenyl)-3-methylsulfanyl-1-benzofuran?
5-bromo-2-(3-fluorophenyl)-3-methylsulfanyl-1-benzofuran has a molecular weight of 337.21 g/mol, XLogP of 5.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-fluorophenyl)-3-methylsulfanyl-1-benzofuran is sourced from PubChem (CID 123493237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).