7-bromo-5-fluoro-3-[(3-fluorophenyl)methyl]-1-benzofuran

C15H9BrF2O — CID 59344909

IUPAC7-bromo-5-fluoro-3-[(3-fluorophenyl)methyl]-1-benzofuran
SMILESFc1cccc(Cc2coc3c(Br)cc(F)cc23)c1
InChIInChI=1S/C15H9BrF2O/c16-14-7-12(18)6-13-10(8-19-15(13)14)4-9-2-1-3-11(17)5-9/h1-3,5-8H,4H2
InChIKeyYUZOBYOYRJHPQK-UHFFFAOYSA-N
MW323.14 g/mol
LogP5.06
Rot. Bonds2

About 7-bromo-5-fluoro-3-[(3-fluorophenyl)methyl]-1-benzofuran

7-bromo-5-fluoro-3-[(3-fluorophenyl)methyl]-1-benzofuran (PubChem CID 59344909) has the molecular formula C15H9BrF2O and a molecular weight of 323.14 g/mol. Its IUPAC name is 7-bromo-5-fluoro-3-[(3-fluorophenyl)methyl]-1-benzofuran.

Molecular Properties

Compound Name7-bromo-5-fluoro-3-[(3-fluorophenyl)methyl]-1-benzofuran
PubChem CID59344909
Molecular FormulaC15H9BrF2O
Molecular Weight323.14 g/mol
Exact Mass321.98
IUPAC Name7-bromo-5-fluoro-3-[(3-fluorophenyl)methyl]-1-benzofuran
SMILESFc1cccc(Cc2coc3c(Br)cc(F)cc23)c1
InChIInChI=1S/C15H9BrF2O/c16-14-7-12(18)6-13-10(8-19-15(13)14)4-9-2-1-3-11(17)5-9/h1-3,5-8H,4H2
InChIKeyYUZOBYOYRJHPQK-UHFFFAOYSA-N
XLogP5.06
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.14
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-fluoro-3-[(3-fluorophenyl)methyl]-1-benzofuran?
The IUPAC name of 7-bromo-5-fluoro-3-[(3-fluorophenyl)methyl]-1-benzofuran (CID 59344909) is 7-bromo-5-fluoro-3-[(3-fluorophenyl)methyl]-1-benzofuran.
What is the SMILES notation for 7-bromo-5-fluoro-3-[(3-fluorophenyl)methyl]-1-benzofuran?
The canonical SMILES for 7-bromo-5-fluoro-3-[(3-fluorophenyl)methyl]-1-benzofuran is Fc1cccc(Cc2coc3c(Br)cc(F)cc23)c1.
What is the InChIKey of 7-bromo-5-fluoro-3-[(3-fluorophenyl)methyl]-1-benzofuran?
The InChIKey is YUZOBYOYRJHPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF2O/c16-14-7-12(18)6-13-10(8-19-15(13)14)4-9-2-1-3-11(17)5-9/h1-3,5-8H,4H2.
What are the key properties of 7-bromo-5-fluoro-3-[(3-fluorophenyl)methyl]-1-benzofuran?
7-bromo-5-fluoro-3-[(3-fluorophenyl)methyl]-1-benzofuran has a molecular weight of 323.14 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-fluoro-3-[(3-fluorophenyl)methyl]-1-benzofuran is sourced from PubChem (CID 59344909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).