3-bromo-2-(4-fluorophenyl)sulfanyl-1-benzofuran

C14H8BrFOS — CID 141338954

IUPAC3-bromo-2-(4-fluorophenyl)sulfanyl-1-benzofuran
SMILESFc1ccc(Sc2oc3ccccc3c2Br)cc1
InChIInChI=1S/C14H8BrFOS/c15-13-11-3-1-2-4-12(11)17-14(13)18-10-7-5-9(16)6-8-10/h1-8H
InChIKeyKZTWEJIODXSFLV-UHFFFAOYSA-N
MW323.19 g/mol
LogP5.49
Rot. Bonds2

About 3-bromo-2-(4-fluorophenyl)sulfanyl-1-benzofuran

3-bromo-2-(4-fluorophenyl)sulfanyl-1-benzofuran (PubChem CID 141338954) has the molecular formula C14H8BrFOS and a molecular weight of 323.19 g/mol. Its IUPAC name is 3-bromo-2-(4-fluorophenyl)sulfanyl-1-benzofuran.

Molecular Properties

Compound Name3-bromo-2-(4-fluorophenyl)sulfanyl-1-benzofuran
PubChem CID141338954
Molecular FormulaC14H8BrFOS
Molecular Weight323.19 g/mol
Exact Mass321.95
IUPAC Name3-bromo-2-(4-fluorophenyl)sulfanyl-1-benzofuran
SMILESFc1ccc(Sc2oc3ccccc3c2Br)cc1
InChIInChI=1S/C14H8BrFOS/c15-13-11-3-1-2-4-12(11)17-14(13)18-10-7-5-9(16)6-8-10/h1-8H
InChIKeyKZTWEJIODXSFLV-UHFFFAOYSA-N
XLogP5.49
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.19
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(4-fluorophenyl)sulfanyl-1-benzofuran?
The IUPAC name of 3-bromo-2-(4-fluorophenyl)sulfanyl-1-benzofuran (CID 141338954) is 3-bromo-2-(4-fluorophenyl)sulfanyl-1-benzofuran.
What is the SMILES notation for 3-bromo-2-(4-fluorophenyl)sulfanyl-1-benzofuran?
The canonical SMILES for 3-bromo-2-(4-fluorophenyl)sulfanyl-1-benzofuran is Fc1ccc(Sc2oc3ccccc3c2Br)cc1.
What is the InChIKey of 3-bromo-2-(4-fluorophenyl)sulfanyl-1-benzofuran?
The InChIKey is KZTWEJIODXSFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFOS/c15-13-11-3-1-2-4-12(11)17-14(13)18-10-7-5-9(16)6-8-10/h1-8H.
What are the key properties of 3-bromo-2-(4-fluorophenyl)sulfanyl-1-benzofuran?
3-bromo-2-(4-fluorophenyl)sulfanyl-1-benzofuran has a molecular weight of 323.19 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(4-fluorophenyl)sulfanyl-1-benzofuran is sourced from PubChem (CID 141338954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).