(5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanone

C13H9BrF2O2S — CID 79982235

IUPAC(5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanone
SMILESCOc1cc(F)c(C(=O)c2cc(C)c(Br)s2)c(F)c1
InChIInChI=1S/C13H9BrF2O2S/c1-6-3-10(19-13(6)14)12(17)11-8(15)4-7(18-2)5-9(11)16/h3-5H,1-2H3
InChIKeyIWRXCQKIJSVNLF-UHFFFAOYSA-N
MW347.18 g/mol
LogP4.34
Rot. Bonds3

About (5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanone

(5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanone (PubChem CID 79982235) has the molecular formula C13H9BrF2O2S and a molecular weight of 347.18 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanone
PubChem CID79982235
Molecular FormulaC13H9BrF2O2S
Molecular Weight347.18 g/mol
Exact Mass345.95
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanone
SMILESCOc1cc(F)c(C(=O)c2cc(C)c(Br)s2)c(F)c1
InChIInChI=1S/C13H9BrF2O2S/c1-6-3-10(19-13(6)14)12(17)11-8(15)4-7(18-2)5-9(11)16/h3-5H,1-2H3
InChIKeyIWRXCQKIJSVNLF-UHFFFAOYSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)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

(2,6-difluoro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 65237489
(2-bromo-4-methoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79982159
(2-amino-3,5-dimethoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 115950911
(5-bromo-4-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone
CID 103301505
(2,6-difluoro-4-methoxyphenyl)-(3,4,5-trifluorophenyl)methanone
CID 63187510
(2-amino-6-methoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 81414808
(5-bromo-4-methylthiophen-2-yl)-(3,5-difluorophenyl)methanone
CID 79997059
(3-bromo-5-methylphenyl)-(2,6-difluoro-4-methoxyphenyl)methanone
CID 104850995
(4,5-dibromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 80536273
(4-bromo-2,6-difluorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 115785405
(2,6-difluoro-4-methoxyphenyl)-(4-methylphenyl)methanone
CID 54880508
(5-bromo-4-methylthiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 79997136

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanone?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanone (CID 79982235) is (5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanone?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanone is COc1cc(F)c(C(=O)c2cc(C)c(Br)s2)c(F)c1.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanone?
The InChIKey is IWRXCQKIJSVNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2O2S/c1-6-3-10(19-13(6)14)12(17)11-8(15)4-7(18-2)5-9(11)16/h3-5H,1-2H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanone?
(5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanone has a molecular weight of 347.18 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 79982235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).