2-bromo-3-chloro-5-[chloro-(2-fluoro-6-methoxyphenyl)methyl]thiophene

C12H8BrCl2FOS — CID 80533282

IUPAC2-bromo-3-chloro-5-[chloro-(2-fluoro-6-methoxyphenyl)methyl]thiophene
SMILESCOc1cccc(F)c1C(Cl)c1cc(Cl)c(Br)s1
InChIInChI=1S/C12H8BrCl2FOS/c1-17-8-4-2-3-7(16)10(8)11(15)9-5-6(14)12(13)18-9/h2-5,11H,1H3
InChIKeyYEAAGQMUQSEMKU-UHFFFAOYSA-N
MW370.07 g/mol
LogP5.64
Rot. Bonds3

About 2-bromo-3-chloro-5-[chloro-(2-fluoro-6-methoxyphenyl)methyl]thiophene

2-bromo-3-chloro-5-[chloro-(2-fluoro-6-methoxyphenyl)methyl]thiophene (PubChem CID 80533282) has the molecular formula C12H8BrCl2FOS and a molecular weight of 370.07 g/mol. Its IUPAC name is 2-bromo-3-chloro-5-[chloro-(2-fluoro-6-methoxyphenyl)methyl]thiophene.

Molecular Properties

Compound Name2-bromo-3-chloro-5-[chloro-(2-fluoro-6-methoxyphenyl)methyl]thiophene
PubChem CID80533282
Molecular FormulaC12H8BrCl2FOS
Molecular Weight370.07 g/mol
Exact Mass367.88
IUPAC Name2-bromo-3-chloro-5-[chloro-(2-fluoro-6-methoxyphenyl)methyl]thiophene
SMILESCOc1cccc(F)c1C(Cl)c1cc(Cl)c(Br)s1
InChIInChI=1S/C12H8BrCl2FOS/c1-17-8-4-2-3-7(16)10(8)11(15)9-5-6(14)12(13)18-9/h2-5,11H,1H3
InChIKeyYEAAGQMUQSEMKU-UHFFFAOYSA-N
XLogP5.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.07
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-bromo-3-chloro-5-[chloro-(2-fluoro-6-methoxyphenyl)methyl]thiophene 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)-(2,6-dimethoxyphenyl)methanamine
CID 80531065
1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 80530702
2-bromo-3-chloro-5-[chloro-(2,6-difluoro-3-methylphenyl)methyl]thiophene
CID 82816642
2-[(4-bromophenyl)-chloromethyl]-1-fluoro-3-methoxybenzene
CID 65434828
2-bromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]-3-chlorothiophene
CID 114560717
5-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764930
(5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanone
CID 80531764
2-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 65434058
2-[chloro-(3,4-dimethoxyphenyl)methyl]-1-fluoro-3-methoxybenzene
CID 65431934
2-bromo-3-chloro-5-[chloro-(3-fluorophenyl)methyl]thiophene
CID 80533672
2-bromo-4-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-1-ethoxybenzene
CID 104661629
2-[bromo-(2,5-dichlorophenyl)methyl]-1-fluoro-3-methoxybenzene
CID 65432324

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-5-[chloro-(2-fluoro-6-methoxyphenyl)methyl]thiophene?
The IUPAC name of 2-bromo-3-chloro-5-[chloro-(2-fluoro-6-methoxyphenyl)methyl]thiophene (CID 80533282) is 2-bromo-3-chloro-5-[chloro-(2-fluoro-6-methoxyphenyl)methyl]thiophene.
What is the SMILES notation for 2-bromo-3-chloro-5-[chloro-(2-fluoro-6-methoxyphenyl)methyl]thiophene?
The canonical SMILES for 2-bromo-3-chloro-5-[chloro-(2-fluoro-6-methoxyphenyl)methyl]thiophene is COc1cccc(F)c1C(Cl)c1cc(Cl)c(Br)s1.
What is the InChIKey of 2-bromo-3-chloro-5-[chloro-(2-fluoro-6-methoxyphenyl)methyl]thiophene?
The InChIKey is YEAAGQMUQSEMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2FOS/c1-17-8-4-2-3-7(16)10(8)11(15)9-5-6(14)12(13)18-9/h2-5,11H,1H3.
What are the key properties of 2-bromo-3-chloro-5-[chloro-(2-fluoro-6-methoxyphenyl)methyl]thiophene?
2-bromo-3-chloro-5-[chloro-(2-fluoro-6-methoxyphenyl)methyl]thiophene has a molecular weight of 370.07 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-5-[chloro-(2-fluoro-6-methoxyphenyl)methyl]thiophene is sourced from PubChem (CID 80533282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).