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

C15H10BrCl2FO — CID 107992186

IUPAC5-bromo-7-[chloro-(4-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESFc1cc(C(Cl)c2cc(Br)cc3c2OCC3)ccc1Cl
InChIInChI=1S/C15H10BrCl2FO/c16-10-5-9-3-4-20-15(9)11(7-10)14(18)8-1-2-12(17)13(19)6-8/h1-2,5-7,14H,3-4H2
InChIKeyBFMSPVHGVCETES-UHFFFAOYSA-N
MW376.05 g/mol
LogP5.50
Rot. Bonds2

About 5-bromo-7-[chloro-(4-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran

5-bromo-7-[chloro-(4-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 107992186) has the molecular formula C15H10BrCl2FO and a molecular weight of 376.05 g/mol. Its IUPAC name is 5-bromo-7-[chloro-(4-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-bromo-7-[chloro-(4-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID107992186
Molecular FormulaC15H10BrCl2FO
Molecular Weight376.05 g/mol
Exact Mass373.93
IUPAC Name5-bromo-7-[chloro-(4-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESFc1cc(C(Cl)c2cc(Br)cc3c2OCC3)ccc1Cl
InChIInChI=1S/C15H10BrCl2FO/c16-10-5-9-3-4-20-15(9)11(7-10)14(18)8-1-2-12(17)13(19)6-8/h1-2,5-7,14H,3-4H2
InChIKeyBFMSPVHGVCETES-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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Related Compounds

5-bromo-7-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543401
5-bromo-7-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543305
5-bromo-7-[bromo-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543561
5-bromo-7-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543622
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 104541674
1-(3-bromo-4-chlorophenyl)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 107998913
5-bromo-7-[chloro-(2-chloro-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543417
5-bromo-7-(1-chloro-2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
CID 104543460
5-bromo-7-[(2-bromo-5-methylphenyl)-chloromethyl]-2,3-dihydro-1-benzofuran
CID 104543457
5-chloro-7-[chloro-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543764
5-bromo-7-[chloro-(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543301
5-bromo-7-[1-chloro-2-(2,4-difluorophenyl)ethyl]-2,3-dihydro-1-benzofuran
CID 104543299

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-[chloro-(4-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-bromo-7-[chloro-(4-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran (CID 107992186) is 5-bromo-7-[chloro-(4-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-bromo-7-[chloro-(4-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-bromo-7-[chloro-(4-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran is Fc1cc(C(Cl)c2cc(Br)cc3c2OCC3)ccc1Cl.
What is the InChIKey of 5-bromo-7-[chloro-(4-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is BFMSPVHGVCETES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2FO/c16-10-5-9-3-4-20-15(9)11(7-10)14(18)8-1-2-12(17)13(19)6-8/h1-2,5-7,14H,3-4H2.
What are the key properties of 5-bromo-7-[chloro-(4-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran?
5-bromo-7-[chloro-(4-chloro-3-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-(4-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 107992186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).