7-bromo-2-[(3-chloro-4-fluorophenyl)methyl]-1-benzofuran

C15H9BrClFO — CID 67186500

IUPAC7-bromo-2-[(3-chloro-4-fluorophenyl)methyl]-1-benzofuran
SMILESFc1ccc(Cc2cc3cccc(Br)c3o2)cc1Cl
InChIInChI=1S/C15H9BrClFO/c16-12-3-1-2-10-8-11(19-15(10)12)6-9-4-5-14(18)13(17)7-9/h1-5,7-8H,6H2
InChIKeyBISNWRRAXXVZGI-UHFFFAOYSA-N
MW339.59 g/mol
LogP5.58
Rot. Bonds2

About 7-bromo-2-[(3-chloro-4-fluorophenyl)methyl]-1-benzofuran

7-bromo-2-[(3-chloro-4-fluorophenyl)methyl]-1-benzofuran (PubChem CID 67186500) has the molecular formula C15H9BrClFO and a molecular weight of 339.59 g/mol. Its IUPAC name is 7-bromo-2-[(3-chloro-4-fluorophenyl)methyl]-1-benzofuran.

Molecular Properties

Compound Name7-bromo-2-[(3-chloro-4-fluorophenyl)methyl]-1-benzofuran
PubChem CID67186500
Molecular FormulaC15H9BrClFO
Molecular Weight339.59 g/mol
Exact Mass337.95
IUPAC Name7-bromo-2-[(3-chloro-4-fluorophenyl)methyl]-1-benzofuran
SMILESFc1ccc(Cc2cc3cccc(Br)c3o2)cc1Cl
InChIInChI=1S/C15H9BrClFO/c16-12-3-1-2-10-8-11(19-15(10)12)6-9-4-5-14(18)13(17)7-9/h1-5,7-8H,6H2
InChIKeyBISNWRRAXXVZGI-UHFFFAOYSA-N
XLogP5.58
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.59
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[(3-chloro-4-fluorophenyl)methyl]-1-benzofuran?
The IUPAC name of 7-bromo-2-[(3-chloro-4-fluorophenyl)methyl]-1-benzofuran (CID 67186500) is 7-bromo-2-[(3-chloro-4-fluorophenyl)methyl]-1-benzofuran.
What is the SMILES notation for 7-bromo-2-[(3-chloro-4-fluorophenyl)methyl]-1-benzofuran?
The canonical SMILES for 7-bromo-2-[(3-chloro-4-fluorophenyl)methyl]-1-benzofuran is Fc1ccc(Cc2cc3cccc(Br)c3o2)cc1Cl.
What is the InChIKey of 7-bromo-2-[(3-chloro-4-fluorophenyl)methyl]-1-benzofuran?
The InChIKey is BISNWRRAXXVZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClFO/c16-12-3-1-2-10-8-11(19-15(10)12)6-9-4-5-14(18)13(17)7-9/h1-5,7-8H,6H2.
What are the key properties of 7-bromo-2-[(3-chloro-4-fluorophenyl)methyl]-1-benzofuran?
7-bromo-2-[(3-chloro-4-fluorophenyl)methyl]-1-benzofuran has a molecular weight of 339.59 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[(3-chloro-4-fluorophenyl)methyl]-1-benzofuran is sourced from PubChem (CID 67186500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).