(7-bromo-1-benzofuran-2-yl)-(2,6-difluoro-3-methylphenyl)methanone

C16H9BrF2O2 — CID 105124504

IUPAC(7-bromo-1-benzofuran-2-yl)-(2,6-difluoro-3-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)c2cc3cccc(Br)c3o2)c1F
InChIInChI=1S/C16H9BrF2O2/c1-8-5-6-11(18)13(14(8)19)15(20)12-7-9-3-2-4-10(17)16(9)21-12/h2-7H,1H3
InChIKeyDHGUAPPBBBXGQY-UHFFFAOYSA-N
MW351.15 g/mol
LogP5.01
Rot. Bonds2

About (7-bromo-1-benzofuran-2-yl)-(2,6-difluoro-3-methylphenyl)methanone

(7-bromo-1-benzofuran-2-yl)-(2,6-difluoro-3-methylphenyl)methanone (PubChem CID 105124504) has the molecular formula C16H9BrF2O2 and a molecular weight of 351.15 g/mol. Its IUPAC name is (7-bromo-1-benzofuran-2-yl)-(2,6-difluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(7-bromo-1-benzofuran-2-yl)-(2,6-difluoro-3-methylphenyl)methanone
PubChem CID105124504
Molecular FormulaC16H9BrF2O2
Molecular Weight351.15 g/mol
Exact Mass349.98
IUPAC Name(7-bromo-1-benzofuran-2-yl)-(2,6-difluoro-3-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)c2cc3cccc(Br)c3o2)c1F
InChIInChI=1S/C16H9BrF2O2/c1-8-5-6-11(18)13(14(8)19)15(20)12-7-9-3-2-4-10(17)16(9)21-12/h2-7H,1H3
InChIKeyDHGUAPPBBBXGQY-UHFFFAOYSA-N
XLogP5.01
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.15
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (7-bromo-1-benzofuran-2-yl)-(2,6-difluoro-3-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-bromo-2-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 107957391
(3-bromo-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115809878
(7-bromo-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone
CID 105081902
(7-methyl-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanone
CID 115808342
(7-bromo-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
CID 63547938
1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanone
CID 114885395
7-bromo-1-benzofuran-2-carboxamide
CID 47331810
(7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanone
CID 105125170
(3-bromo-2-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 115794398
(2-bromo-3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 107538168
7-bromo-N-(2,5-difluorophenyl)-1-benzofuran-2-carboxamide
CID 38897845
(7-bromo-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanone
CID 63547761

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzofuran-2-yl)-(2,6-difluoro-3-methylphenyl)methanone?
The IUPAC name of (7-bromo-1-benzofuran-2-yl)-(2,6-difluoro-3-methylphenyl)methanone (CID 105124504) is (7-bromo-1-benzofuran-2-yl)-(2,6-difluoro-3-methylphenyl)methanone.
What is the SMILES notation for (7-bromo-1-benzofuran-2-yl)-(2,6-difluoro-3-methylphenyl)methanone?
The canonical SMILES for (7-bromo-1-benzofuran-2-yl)-(2,6-difluoro-3-methylphenyl)methanone is Cc1ccc(F)c(C(=O)c2cc3cccc(Br)c3o2)c1F.
What is the InChIKey of (7-bromo-1-benzofuran-2-yl)-(2,6-difluoro-3-methylphenyl)methanone?
The InChIKey is DHGUAPPBBBXGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrF2O2/c1-8-5-6-11(18)13(14(8)19)15(20)12-7-9-3-2-4-10(17)16(9)21-12/h2-7H,1H3.
What are the key properties of (7-bromo-1-benzofuran-2-yl)-(2,6-difluoro-3-methylphenyl)methanone?
(7-bromo-1-benzofuran-2-yl)-(2,6-difluoro-3-methylphenyl)methanone has a molecular weight of 351.15 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-benzofuran-2-yl)-(2,6-difluoro-3-methylphenyl)methanone is sourced from PubChem (CID 105124504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).