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

C15H10Br2ClFO — CID 104543561

IUPAC5-bromo-7-[bromo-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESFc1ccc(Cl)cc1C(Br)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C15H10Br2ClFO/c16-9-5-8-3-4-20-15(8)12(6-9)14(17)11-7-10(18)1-2-13(11)19/h1-2,5-7,14H,3-4H2
InChIKeyJVLWKIDXNUOCSY-UHFFFAOYSA-N
MW420.50 g/mol
LogP5.66
Rot. Bonds2

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

5-bromo-7-[bromo-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 104543561) has the molecular formula C15H10Br2ClFO and a molecular weight of 420.50 g/mol. Its IUPAC name is 5-bromo-7-[bromo-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-bromo-7-[bromo-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID104543561
Molecular FormulaC15H10Br2ClFO
Molecular Weight420.50 g/mol
Exact Mass417.88
IUPAC Name5-bromo-7-[bromo-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESFc1ccc(Cl)cc1C(Br)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C15H10Br2ClFO/c16-9-5-8-3-4-20-15(8)12(6-9)14(17)11-7-10(18)1-2-13(11)19/h1-2,5-7,14H,3-4H2
InChIKeyJVLWKIDXNUOCSY-UHFFFAOYSA-N
XLogP5.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.50
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-7-[bromo-(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 113425206
5-bromo-7-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543622
7-[bromo-(2-chloro-4-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104543989
5-chloro-7-[chloro-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543764
7-[bromo-(2-bromo-6-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 114560746
(4-bromo-2-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol
CID 104543168
5-bromo-7-[chloro-(4-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 107992186
5-bromo-7-[bromo-(5-methylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 104543596
5-bromo-7-[bromo-(3-bromothiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 104543607
5-bromo-7-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543484
5-bromo-7-(1-chloro-2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
CID 104543460
5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran
CID 59446392

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-[bromo-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-bromo-7-[bromo-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran (CID 104543561) is 5-bromo-7-[bromo-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-bromo-7-[bromo-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-bromo-7-[bromo-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran is Fc1ccc(Cl)cc1C(Br)c1cc(Br)cc2c1OCC2.
What is the InChIKey of 5-bromo-7-[bromo-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is JVLWKIDXNUOCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2ClFO/c16-9-5-8-3-4-20-15(8)12(6-9)14(17)11-7-10(18)1-2-13(11)19/h1-2,5-7,14H,3-4H2.
What are the key properties of 5-bromo-7-[bromo-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran?
5-bromo-7-[bromo-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 420.50 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-[bromo-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 104543561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).