2,3-dibromo-5-(2-bromo-1,1-difluoropentyl)thiophene

C9H9Br3F2S — CID 101107032

IUPAC2,3-dibromo-5-(2-bromo-1,1-difluoropentyl)thiophene
SMILESCCCC(Br)C(F)(F)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H9Br3F2S/c1-2-3-6(11)9(13,14)7-4-5(10)8(12)15-7/h4,6H,2-3H2,1H3
InChIKeyMXEAOFXZIAXVBG-UHFFFAOYSA-N
MW426.95 g/mol
LogP5.93
Rot. Bonds4

About 2,3-dibromo-5-(2-bromo-1,1-difluoropentyl)thiophene

2,3-dibromo-5-(2-bromo-1,1-difluoropentyl)thiophene (PubChem CID 101107032) has the molecular formula C9H9Br3F2S and a molecular weight of 426.95 g/mol. Its IUPAC name is 2,3-dibromo-5-(2-bromo-1,1-difluoropentyl)thiophene.

Molecular Properties

Compound Name2,3-dibromo-5-(2-bromo-1,1-difluoropentyl)thiophene
PubChem CID101107032
Molecular FormulaC9H9Br3F2S
Molecular Weight426.95 g/mol
Exact Mass423.79
IUPAC Name2,3-dibromo-5-(2-bromo-1,1-difluoropentyl)thiophene
SMILESCCCC(Br)C(F)(F)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H9Br3F2S/c1-2-3-6(11)9(13,14)7-4-5(10)8(12)15-7/h4,6H,2-3H2,1H3
InChIKeyMXEAOFXZIAXVBG-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.95
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3-dibromo-5-(2-bromo-1,1-difluoropentyl)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 2,3-dibromo-5-(2-bromo-1,1-difluoropentyl)thiophene?
The IUPAC name of 2,3-dibromo-5-(2-bromo-1,1-difluoropentyl)thiophene (CID 101107032) is 2,3-dibromo-5-(2-bromo-1,1-difluoropentyl)thiophene.
What is the SMILES notation for 2,3-dibromo-5-(2-bromo-1,1-difluoropentyl)thiophene?
The canonical SMILES for 2,3-dibromo-5-(2-bromo-1,1-difluoropentyl)thiophene is CCCC(Br)C(F)(F)c1cc(Br)c(Br)s1.
What is the InChIKey of 2,3-dibromo-5-(2-bromo-1,1-difluoropentyl)thiophene?
The InChIKey is MXEAOFXZIAXVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br3F2S/c1-2-3-6(11)9(13,14)7-4-5(10)8(12)15-7/h4,6H,2-3H2,1H3.
What are the key properties of 2,3-dibromo-5-(2-bromo-1,1-difluoropentyl)thiophene?
2,3-dibromo-5-(2-bromo-1,1-difluoropentyl)thiophene has a molecular weight of 426.95 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-5-(2-bromo-1,1-difluoropentyl)thiophene is sourced from PubChem (CID 101107032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).