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

C15H11FO2S — CID 112723138

IUPAC(5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)c2oc3ccc(F)cc3c2C)s1
InChIInChI=1S/C15H11FO2S/c1-8-3-6-13(19-8)14(17)15-9(2)11-7-10(16)4-5-12(11)18-15/h3-7H,1-2H3
InChIKeyZUOQCPIEFTWLKE-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.48
Rot. Bonds2

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

(5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone (PubChem CID 112723138) has the molecular formula C15H11FO2S and a molecular weight of 274.32 g/mol. Its IUPAC name is (5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone
PubChem CID112723138
Molecular FormulaC15H11FO2S
Molecular Weight274.32 g/mol
Exact Mass274.05
IUPAC Name(5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)c2oc3ccc(F)cc3c2C)s1
InChIInChI=1S/C15H11FO2S/c1-8-3-6-13(19-8)14(17)15-9(2)11-7-10(16)4-5-12(11)18-15/h3-7H,1-2H3
InChIKeyZUOQCPIEFTWLKE-UHFFFAOYSA-N
XLogP4.48
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone
CID 28880620
(2,5-difluorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 112723135
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone
CID 103606798
(3,4-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 112723127
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylprop-2-en-1-one
CID 105112935
(3-bromothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 113225600
(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
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpentan-1-one
CID 107891205
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid
CID 43241803
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanone
CID 79003791

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone?
The IUPAC name of (5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone (CID 112723138) is (5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for (5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for (5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)c2oc3ccc(F)cc3c2C)s1.
What is the InChIKey of (5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone?
The InChIKey is ZUOQCPIEFTWLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO2S/c1-8-3-6-13(19-8)14(17)15-9(2)11-7-10(16)4-5-12(11)18-15/h3-7H,1-2H3.
What are the key properties of (5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone?
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone has a molecular weight of 274.32 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 112723138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).