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

C11H5Br2ClF2S — CID 55198719

IUPAC2,5-dibromo-3-[chloro-(2,3-difluorophenyl)methyl]thiophene
SMILESFc1cccc(C(Cl)c2cc(Br)sc2Br)c1F
InChIInChI=1S/C11H5Br2ClF2S/c12-8-4-6(11(13)17-8)9(14)5-2-1-3-7(15)10(5)16/h1-4,9H
InChIKeyOCVCIFDIIZABTP-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.88
Rot. Bonds2

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

2,5-dibromo-3-[chloro-(2,3-difluorophenyl)methyl]thiophene (PubChem CID 55198719) has the molecular formula C11H5Br2ClF2S and a molecular weight of 402.49 g/mol. Its IUPAC name is 2,5-dibromo-3-[chloro-(2,3-difluorophenyl)methyl]thiophene.

Molecular Properties

Compound Name2,5-dibromo-3-[chloro-(2,3-difluorophenyl)methyl]thiophene
PubChem CID55198719
Molecular FormulaC11H5Br2ClF2S
Molecular Weight402.49 g/mol
Exact Mass399.81
IUPAC Name2,5-dibromo-3-[chloro-(2,3-difluorophenyl)methyl]thiophene
SMILESFc1cccc(C(Cl)c2cc(Br)sc2Br)c1F
InChIInChI=1S/C11H5Br2ClF2S/c12-8-4-6(11(13)17-8)9(14)5-2-1-3-7(15)10(5)16/h1-4,9H
InChIKeyOCVCIFDIIZABTP-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-(2,3-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

Related Compounds

2-Bromo-5-phenylthiophene
CID 2776313
2-Bromo-5-(4-fluorophenyl)thiophene
CID 53415899
3-Bromo-2-(4-fluorophenyl)thiophene
CID 134863536
3,5-Dibromo-2-phenylthiophene
CID 901464
4-Chloromethyl-2-(4-fluoro-phenyl)-thiophene
CID 10242824
2,3-Dibromo-5-(4-fluorophenyl)thiophene
CID 68706291
2,5-Dibromo-3-beta-pentafluorostyrylthiophene
CID 45140625
3-Bromo-5-(3,5-difluorophenyl)-2-methylthiophene
CID 71445661
2,5-Dibromo-3-[1,2-difluoro-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]thiophene
CID 91453915
2-Methyl-3-bromo-5-(3,4-difluorophenyl)thiophene
CID 129714326
2-(Bromomethyl)-5-(3,5-difluorophenyl)thiophene
CID 129858537
2-(Bromomethyl)-5-(3-chloro-4-fluorophenyl)thiophene
CID 129858539

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-3-[chloro-(2,3-difluorophenyl)methyl]thiophene?
The IUPAC name of 2,5-dibromo-3-[chloro-(2,3-difluorophenyl)methyl]thiophene (CID 55198719) is 2,5-dibromo-3-[chloro-(2,3-difluorophenyl)methyl]thiophene.
What is the SMILES notation for 2,5-dibromo-3-[chloro-(2,3-difluorophenyl)methyl]thiophene?
The canonical SMILES for 2,5-dibromo-3-[chloro-(2,3-difluorophenyl)methyl]thiophene is Fc1cccc(C(Cl)c2cc(Br)sc2Br)c1F.
What is the InChIKey of 2,5-dibromo-3-[chloro-(2,3-difluorophenyl)methyl]thiophene?
The InChIKey is OCVCIFDIIZABTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br2ClF2S/c12-8-4-6(11(13)17-8)9(14)5-2-1-3-7(15)10(5)16/h1-4,9H.
What are the key properties of 2,5-dibromo-3-[chloro-(2,3-difluorophenyl)methyl]thiophene?
2,5-dibromo-3-[chloro-(2,3-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-(2,3-difluorophenyl)methyl]thiophene is sourced from PubChem (CID 55198719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).