5-bromo-7-[chloro-(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran

C15H10BrCl2FO — CID 104543348

IUPAC5-bromo-7-[chloro-(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESFc1cccc(Cl)c1C(Cl)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C15H10BrCl2FO/c16-9-6-8-4-5-20-15(8)10(7-9)14(18)13-11(17)2-1-3-12(13)19/h1-3,6-7,14H,4-5H2
InChIKeyAOMXDKQGTKBUFM-UHFFFAOYSA-N
MW376.05 g/mol
LogP5.50
Rot. Bonds2

About 5-bromo-7-[chloro-(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran

5-bromo-7-[chloro-(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 104543348) has the molecular formula C15H10BrCl2FO and a molecular weight of 376.05 g/mol. Its IUPAC name is 5-bromo-7-[chloro-(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-bromo-7-[chloro-(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID104543348
Molecular FormulaC15H10BrCl2FO
Molecular Weight376.05 g/mol
Exact Mass373.93
IUPAC Name5-bromo-7-[chloro-(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESFc1cccc(Cl)c1C(Cl)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C15H10BrCl2FO/c16-9-6-8-4-5-20-15(8)10(7-9)14(18)13-11(17)2-1-3-12(13)19/h1-3,6-7,14H,4-5H2
InChIKeyAOMXDKQGTKBUFM-UHFFFAOYSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.05
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-[chloro-(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-bromo-7-[chloro-(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran (CID 104543348) is 5-bromo-7-[chloro-(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-bromo-7-[chloro-(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-bromo-7-[chloro-(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran is Fc1cccc(Cl)c1C(Cl)c1cc(Br)cc2c1OCC2.
What is the InChIKey of 5-bromo-7-[chloro-(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is AOMXDKQGTKBUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2FO/c16-9-6-8-4-5-20-15(8)10(7-9)14(18)13-11(17)2-1-3-12(13)19/h1-3,6-7,14H,4-5H2.
What are the key properties of 5-bromo-7-[chloro-(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran?
5-bromo-7-[chloro-(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 376.05 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-[chloro-(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 104543348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).