(3-bromo-4-fluorophenyl)-(6-bromo-3-methyl-1-benzofuran-2-yl)methanone

C16H9Br2FO2 — CID 102949376

IUPAC(3-bromo-4-fluorophenyl)-(6-bromo-3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)c2ccc(F)c(Br)c2)oc2cc(Br)ccc12
InChIInChI=1S/C16H9Br2FO2/c1-8-11-4-3-10(17)7-14(11)21-16(8)15(20)9-2-5-13(19)12(18)6-9/h2-7H,1H3
InChIKeyGLPNETGUHPFGHE-UHFFFAOYSA-N
MW412.05 g/mol
LogP5.64
Rot. Bonds2

About (3-bromo-4-fluorophenyl)-(6-bromo-3-methyl-1-benzofuran-2-yl)methanone

(3-bromo-4-fluorophenyl)-(6-bromo-3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 102949376) has the molecular formula C16H9Br2FO2 and a molecular weight of 412.05 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(6-bromo-3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(6-bromo-3-methyl-1-benzofuran-2-yl)methanone
PubChem CID102949376
Molecular FormulaC16H9Br2FO2
Molecular Weight412.05 g/mol
Exact Mass409.90
IUPAC Name(3-bromo-4-fluorophenyl)-(6-bromo-3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)c2ccc(F)c(Br)c2)oc2cc(Br)ccc12
InChIInChI=1S/C16H9Br2FO2/c1-8-11-4-3-10(17)7-14(11)21-16(8)15(20)9-2-5-13(19)12(18)6-9/h2-7H,1H3
InChIKeyGLPNETGUHPFGHE-UHFFFAOYSA-N
XLogP5.64
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.05
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanone
CID 102949358
(3-bromo-4-fluorophenyl)-(3,5-dimethyl-1-benzofuran-2-yl)methanone
CID 63545779
(6-bromo-3-methyl-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
CID 102949391
(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanone
CID 102949361
4-bromo-N-[2-(4-chlorobenzoyl)-3-methyl-1-benzofuran-6-yl]benzamide
CID 18568645
(5-bromo-3-methyl-1-benzofuran-2-yl)-(3-bromophenyl)methanone
CID 28880631
(5-bromo-3-methyl-1-benzofuran-2-yl)-(3,4-dichlorophenyl)methanone
CID 2767305
(3-bromo-4-fluorophenyl)-(5-methylfuran-2-yl)methanone
CID 79735004
(5-bromo-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone
CID 103606800
(3-bromophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 60706471
(3-chloro-4-fluorophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 63549321
(6-bromo-3-methyl-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102949397

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(6-bromo-3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (3-bromo-4-fluorophenyl)-(6-bromo-3-methyl-1-benzofuran-2-yl)methanone (CID 102949376) is (3-bromo-4-fluorophenyl)-(6-bromo-3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(6-bromo-3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(6-bromo-3-methyl-1-benzofuran-2-yl)methanone is Cc1c(C(=O)c2ccc(F)c(Br)c2)oc2cc(Br)ccc12.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(6-bromo-3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is GLPNETGUHPFGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Br2FO2/c1-8-11-4-3-10(17)7-14(11)21-16(8)15(20)9-2-5-13(19)12(18)6-9/h2-7H,1H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(6-bromo-3-methyl-1-benzofuran-2-yl)methanone?
(3-bromo-4-fluorophenyl)-(6-bromo-3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 412.05 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(6-bromo-3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 102949376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).