5-[(2-bromo-4-fluorophenyl)-chloromethyl]-1,3-dihydro-2-benzofuran

C15H11BrClFO — CID 55143480

IUPAC5-[(2-bromo-4-fluorophenyl)-chloromethyl]-1,3-dihydro-2-benzofuran
SMILESFc1ccc(C(Cl)c2ccc3c(c2)COC3)c(Br)c1
InChIInChI=1S/C15H11BrClFO/c16-14-6-12(18)3-4-13(14)15(17)9-1-2-10-7-19-8-11(10)5-9/h1-6,15H,7-8H2
InChIKeyUEIWNTIPQQGYND-UHFFFAOYSA-N
MW341.61 g/mol
LogP4.95
Rot. Bonds2

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

5-[(2-bromo-4-fluorophenyl)-chloromethyl]-1,3-dihydro-2-benzofuran (PubChem CID 55143480) has the molecular formula C15H11BrClFO and a molecular weight of 341.61 g/mol. Its IUPAC name is 5-[(2-bromo-4-fluorophenyl)-chloromethyl]-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name5-[(2-bromo-4-fluorophenyl)-chloromethyl]-1,3-dihydro-2-benzofuran
PubChem CID55143480
Molecular FormulaC15H11BrClFO
Molecular Weight341.61 g/mol
Exact Mass339.97
IUPAC Name5-[(2-bromo-4-fluorophenyl)-chloromethyl]-1,3-dihydro-2-benzofuran
SMILESFc1ccc(C(Cl)c2ccc3c(c2)COC3)c(Br)c1
InChIInChI=1S/C15H11BrClFO/c16-14-6-12(18)3-4-13(14)15(17)9-1-2-10-7-19-8-11(10)5-9/h1-6,15H,7-8H2
InChIKeyUEIWNTIPQQGYND-UHFFFAOYSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.61
LogP ≤ 54.95
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-[(2-bromo-4-fluorophenyl)-chloromethyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 63436582
5-[(5-bromo-2-iodophenyl)-chloromethyl]-1,3-dihydro-2-benzofuran
CID 114033434
2-bromo-1-[chloro-(3,4-dimethoxyphenyl)methyl]-4-fluorobenzene
CID 61082924
2-(2-bromo-4-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 115843109
5-[(7-bromo-1-benzothiophen-3-yl)-chloromethyl]-1,3-dihydro-2-benzofuran
CID 81128133
1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2,4-difluorobenzene
CID 63433476
5-[bromo-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran
CID 55144632
2-bromo-4-chloro-1-[chloro-(4-fluorophenyl)methyl]benzene
CID 107991413
2-(2-bromo-5-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 115843631
5-[chloro-(2-chloro-4-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran
CID 63743696
5-[(2-bromo-5-fluorophenyl)-chloromethyl]-2,2-dimethyl-3H-1-benzofuran
CID 63447881
5-[chloro-(3-chlorophenyl)methyl]-1,3-dihydro-2-benzofuran
CID 63021653

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-4-fluorophenyl)-chloromethyl]-1,3-dihydro-2-benzofuran?
The IUPAC name of 5-[(2-bromo-4-fluorophenyl)-chloromethyl]-1,3-dihydro-2-benzofuran (CID 55143480) is 5-[(2-bromo-4-fluorophenyl)-chloromethyl]-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 5-[(2-bromo-4-fluorophenyl)-chloromethyl]-1,3-dihydro-2-benzofuran?
The canonical SMILES for 5-[(2-bromo-4-fluorophenyl)-chloromethyl]-1,3-dihydro-2-benzofuran is Fc1ccc(C(Cl)c2ccc3c(c2)COC3)c(Br)c1.
What is the InChIKey of 5-[(2-bromo-4-fluorophenyl)-chloromethyl]-1,3-dihydro-2-benzofuran?
The InChIKey is UEIWNTIPQQGYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO/c16-14-6-12(18)3-4-13(14)15(17)9-1-2-10-7-19-8-11(10)5-9/h1-6,15H,7-8H2.
What are the key properties of 5-[(2-bromo-4-fluorophenyl)-chloromethyl]-1,3-dihydro-2-benzofuran?
5-[(2-bromo-4-fluorophenyl)-chloromethyl]-1,3-dihydro-2-benzofuran has a molecular weight of 341.61 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-4-fluorophenyl)-chloromethyl]-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 55143480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).