(3-bromothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone

C14H8BrFO2S — CID 113225600

IUPAC(3-bromothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)c2sccc2Br)oc2ccc(F)cc12
InChIInChI=1S/C14H8BrFO2S/c1-7-9-6-8(16)2-3-11(9)18-13(7)12(17)14-10(15)4-5-19-14/h2-6H,1H3
InChIKeyUBJNOBJCJPOPFG-UHFFFAOYSA-N
MW339.19 g/mol
LogP4.94
Rot. Bonds2

About (3-bromothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone

(3-bromothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 113225600) has the molecular formula C14H8BrFO2S and a molecular weight of 339.19 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
PubChem CID113225600
Molecular FormulaC14H8BrFO2S
Molecular Weight339.19 g/mol
Exact Mass337.94
IUPAC Name(3-bromothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)c2sccc2Br)oc2ccc(F)cc12
InChIInChI=1S/C14H8BrFO2S/c1-7-9-6-8(16)2-3-11(9)18-13(7)12(17)14-10(15)4-5-19-14/h2-6H,1H3
InChIKeyUBJNOBJCJPOPFG-UHFFFAOYSA-N
XLogP4.94
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone
CID 105092745
(2,5-difluorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 112723135
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone
CID 112723138
(3,4-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 112723127
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone
CID 103606798
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylprop-2-en-1-one
CID 105112935
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid
CID 43241803
(2,5-dichlorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 78907025
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methanone
CID 105122775
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-4,4-dimethylpentan-1-one
CID 105093299
2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine
CID 105139486
N-(4-bromo-2-fluorophenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344702

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (3-bromothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone (CID 113225600) is (3-bromothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (3-bromothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (3-bromothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone is Cc1c(C(=O)c2sccc2Br)oc2ccc(F)cc12.
What is the InChIKey of (3-bromothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is UBJNOBJCJPOPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFO2S/c1-7-9-6-8(16)2-3-11(9)18-13(7)12(17)14-10(15)4-5-19-14/h2-6H,1H3.
What are the key properties of (3-bromothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
(3-bromothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 339.19 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 113225600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).