1-(2-bromo-6-fluorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanone

C16H11BrClFO2 — CID 114885386

IUPAC1-(2-bromo-6-fluorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanone
SMILESO=C(Cc1cc(Cl)cc2c1OCC2)c1c(F)cccc1Br
InChIInChI=1S/C16H11BrClFO2/c17-12-2-1-3-13(19)15(12)14(20)8-10-7-11(18)6-9-4-5-21-16(9)10/h1-3,6-7H,4-5,8H2
InChIKeyMJCLKECEVWZJDH-UHFFFAOYSA-N
MW369.62 g/mol
LogP4.60
Rot. Bonds3

About 1-(2-bromo-6-fluorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanone

1-(2-bromo-6-fluorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanone (PubChem CID 114885386) has the molecular formula C16H11BrClFO2 and a molecular weight of 369.62 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanone
PubChem CID114885386
Molecular FormulaC16H11BrClFO2
Molecular Weight369.62 g/mol
Exact Mass367.96
IUPAC Name1-(2-bromo-6-fluorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanone
SMILESO=C(Cc1cc(Cl)cc2c1OCC2)c1c(F)cccc1Br
InChIInChI=1S/C16H11BrClFO2/c17-12-2-1-3-13(19)15(12)14(20)8-10-7-11(18)6-9-4-5-21-16(9)10/h1-3,6-7H,4-5,8H2
InChIKeyMJCLKECEVWZJDH-UHFFFAOYSA-N
XLogP4.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.62
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2-bromo-6-fluorophenyl)ethanone
CID 114885477
1-(2-bromo-6-fluorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanamine
CID 114886812
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-chloro-2-fluorophenyl)ethanone
CID 114885223
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-chloro-2-methylphenyl)ethanone
CID 115796449
1-(3-bromo-2-chlorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 115830807
1-(3-bromo-5-methylphenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 115796534
7-[bromo-(2-bromo-6-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 114560746
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(2,4-difluorophenyl)ethanone
CID 104544722
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanone
CID 114885338
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)but-3-en-2-one
CID 103453608
1-(2-bromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114885464
4-bromo-N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2,5-difluoroaniline
CID 107611178

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanone?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanone (CID 114885386) is 1-(2-bromo-6-fluorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanone.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanone?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanone is O=C(Cc1cc(Cl)cc2c1OCC2)c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanone?
The InChIKey is MJCLKECEVWZJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClFO2/c17-12-2-1-3-13(19)15(12)14(20)8-10-7-11(18)6-9-4-5-21-16(9)10/h1-3,6-7H,4-5,8H2.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanone?
1-(2-bromo-6-fluorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanone has a molecular weight of 369.62 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanone is sourced from PubChem (CID 114885386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).