2-bromo-5-[chloro-(2,5-dimethylthiophen-3-yl)methyl]furan

C11H10BrClOS — CID 61085201

IUPAC2-bromo-5-[chloro-(2,5-dimethylthiophen-3-yl)methyl]furan
SMILESCc1cc(C(Cl)c2ccc(Br)o2)c(C)s1
InChIInChI=1S/C11H10BrClOS/c1-6-5-8(7(2)15-6)11(13)9-3-4-10(12)14-9/h3-5,11H,1-2H3
InChIKeyHIVTXGQEPYNIMX-UHFFFAOYSA-N
MW305.62 g/mol
LogP5.05
Rot. Bonds2

About 2-bromo-5-[chloro-(2,5-dimethylthiophen-3-yl)methyl]furan

2-bromo-5-[chloro-(2,5-dimethylthiophen-3-yl)methyl]furan (PubChem CID 61085201) has the molecular formula C11H10BrClOS and a molecular weight of 305.62 g/mol. Its IUPAC name is 2-bromo-5-[chloro-(2,5-dimethylthiophen-3-yl)methyl]furan.

Molecular Properties

Compound Name2-bromo-5-[chloro-(2,5-dimethylthiophen-3-yl)methyl]furan
PubChem CID61085201
Molecular FormulaC11H10BrClOS
Molecular Weight305.62 g/mol
Exact Mass303.93
IUPAC Name2-bromo-5-[chloro-(2,5-dimethylthiophen-3-yl)methyl]furan
SMILESCc1cc(C(Cl)c2ccc(Br)o2)c(C)s1
InChIInChI=1S/C11H10BrClOS/c1-6-5-8(7(2)15-6)11(13)9-3-4-10(12)14-9/h3-5,11H,1-2H3
InChIKeyHIVTXGQEPYNIMX-UHFFFAOYSA-N
XLogP5.05
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.62
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-5-[chloro-(2,5-dimethylthiophen-3-yl)methyl]furan with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[chloro-(2,5-dimethylthiophen-3-yl)methyl]furan?
The IUPAC name of 2-bromo-5-[chloro-(2,5-dimethylthiophen-3-yl)methyl]furan (CID 61085201) is 2-bromo-5-[chloro-(2,5-dimethylthiophen-3-yl)methyl]furan.
What is the SMILES notation for 2-bromo-5-[chloro-(2,5-dimethylthiophen-3-yl)methyl]furan?
The canonical SMILES for 2-bromo-5-[chloro-(2,5-dimethylthiophen-3-yl)methyl]furan is Cc1cc(C(Cl)c2ccc(Br)o2)c(C)s1.
What is the InChIKey of 2-bromo-5-[chloro-(2,5-dimethylthiophen-3-yl)methyl]furan?
The InChIKey is HIVTXGQEPYNIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClOS/c1-6-5-8(7(2)15-6)11(13)9-3-4-10(12)14-9/h3-5,11H,1-2H3.
What are the key properties of 2-bromo-5-[chloro-(2,5-dimethylthiophen-3-yl)methyl]furan?
2-bromo-5-[chloro-(2,5-dimethylthiophen-3-yl)methyl]furan has a molecular weight of 305.62 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[chloro-(2,5-dimethylthiophen-3-yl)methyl]furan is sourced from PubChem (CID 61085201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).