2,5-dibromo-3-[chloro-(2,4-difluorophenyl)methyl]thiophene

C11H5Br2ClF2S — CID 55199104

IUPAC2,5-dibromo-3-[chloro-(2,4-difluorophenyl)methyl]thiophene
SMILESFc1ccc(C(Cl)c2cc(Br)sc2Br)c(F)c1
InChIInChI=1S/C11H5Br2ClF2S/c12-9-4-7(11(13)17-9)10(14)6-2-1-5(15)3-8(6)16/h1-4,10H
InChIKeyHLRYPSVMJLKWOE-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.88
Rot. Bonds2

About 2,5-dibromo-3-[chloro-(2,4-difluorophenyl)methyl]thiophene

2,5-dibromo-3-[chloro-(2,4-difluorophenyl)methyl]thiophene (PubChem CID 55199104) has the molecular formula C11H5Br2ClF2S and a molecular weight of 402.49 g/mol. Its IUPAC name is 2,5-dibromo-3-[chloro-(2,4-difluorophenyl)methyl]thiophene.

Molecular Properties

Compound Name2,5-dibromo-3-[chloro-(2,4-difluorophenyl)methyl]thiophene
PubChem CID55199104
Molecular FormulaC11H5Br2ClF2S
Molecular Weight402.49 g/mol
Exact Mass399.81
IUPAC Name2,5-dibromo-3-[chloro-(2,4-difluorophenyl)methyl]thiophene
SMILESFc1ccc(C(Cl)c2cc(Br)sc2Br)c(F)c1
InChIInChI=1S/C11H5Br2ClF2S/c12-9-4-7(11(13)17-9)10(14)6-2-1-5(15)3-8(6)16/h1-4,10H
InChIKeyHLRYPSVMJLKWOE-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,5-dibromo-3-[chloro-(2,4-difluorophenyl)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

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-3-[chloro-(2,4-difluorophenyl)methyl]thiophene?
The IUPAC name of 2,5-dibromo-3-[chloro-(2,4-difluorophenyl)methyl]thiophene (CID 55199104) is 2,5-dibromo-3-[chloro-(2,4-difluorophenyl)methyl]thiophene.
What is the SMILES notation for 2,5-dibromo-3-[chloro-(2,4-difluorophenyl)methyl]thiophene?
The canonical SMILES for 2,5-dibromo-3-[chloro-(2,4-difluorophenyl)methyl]thiophene is Fc1ccc(C(Cl)c2cc(Br)sc2Br)c(F)c1.
What is the InChIKey of 2,5-dibromo-3-[chloro-(2,4-difluorophenyl)methyl]thiophene?
The InChIKey is HLRYPSVMJLKWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br2ClF2S/c12-9-4-7(11(13)17-9)10(14)6-2-1-5(15)3-8(6)16/h1-4,10H.
What are the key properties of 2,5-dibromo-3-[chloro-(2,4-difluorophenyl)methyl]thiophene?
2,5-dibromo-3-[chloro-(2,4-difluorophenyl)methyl]thiophene has a molecular weight of 402.49 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-3-[chloro-(2,4-difluorophenyl)methyl]thiophene is sourced from PubChem (CID 55199104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).