(5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanone

C12H7BrClFO2S — CID 80531764

IUPAC(5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanone
SMILESCOc1cccc(F)c1C(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C12H7BrClFO2S/c1-17-8-4-2-3-7(15)10(8)11(16)9-5-6(14)12(13)18-9/h2-5H,1H3
InChIKeyYPDZCQPYQRXJKB-UHFFFAOYSA-N
MW349.61 g/mol
LogP4.54
Rot. Bonds3

About (5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanone

(5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanone (PubChem CID 80531764) has the molecular formula C12H7BrClFO2S and a molecular weight of 349.61 g/mol. Its IUPAC name is (5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanone
PubChem CID80531764
Molecular FormulaC12H7BrClFO2S
Molecular Weight349.61 g/mol
Exact Mass347.90
IUPAC Name(5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanone
SMILESCOc1cccc(F)c1C(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C12H7BrClFO2S/c1-17-8-4-2-3-7(15)10(8)11(16)9-5-6(14)12(13)18-9/h2-5H,1H3
InChIKeyYPDZCQPYQRXJKB-UHFFFAOYSA-N
XLogP4.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.61
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-6-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

(5-bromo-4-chlorothiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanone
CID 80531615
(5-bromo-4-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanone
CID 81126735
(5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-3-methylphenyl)methanone
CID 81479635
(3,5-difluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 79020458
(3-chloro-4-methylphenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 113241963
(2-amino-6-methoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 81414808
(4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone
CID 79697438
(2-fluoro-6-methoxyphenyl)-(2-hydroxy-6-methoxyphenyl)methanone
CID 14629523
2-bromo-3-chloro-5-[chloro-(2-fluoro-6-methoxyphenyl)methyl]thiophene
CID 80533282
(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 65433422
(5-bromo-4-chlorothiophen-2-yl)-(5-bromo-2-fluorophenyl)methanone
CID 80531586
(3-bromo-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 106644895

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanone?
The IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanone (CID 80531764) is (5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanone.
What is the SMILES notation for (5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanone?
The canonical SMILES for (5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanone is COc1cccc(F)c1C(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of (5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanone?
The InChIKey is YPDZCQPYQRXJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClFO2S/c1-17-8-4-2-3-7(15)10(8)11(16)9-5-6(14)12(13)18-9/h2-5H,1H3.
What are the key properties of (5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanone?
(5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanone has a molecular weight of 349.61 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanone is sourced from PubChem (CID 80531764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).