2-bromo-5-[bromo-(4-chloro-3-fluorophenyl)methyl]-3-chlorothiophene

C11H5Br2Cl2FS — CID 107992049

IUPAC2-bromo-5-[bromo-(4-chloro-3-fluorophenyl)methyl]-3-chlorothiophene
SMILESFc1cc(C(Br)c2cc(Cl)c(Br)s2)ccc1Cl
InChIInChI=1S/C11H5Br2Cl2FS/c12-10(9-4-7(15)11(13)17-9)5-1-2-6(14)8(16)3-5/h1-4,10H
InChIKeyRLIGMVPQRDKHNQ-UHFFFAOYSA-N
MW418.94 g/mol
LogP6.44
Rot. Bonds2

About 2-bromo-5-[bromo-(4-chloro-3-fluorophenyl)methyl]-3-chlorothiophene

2-bromo-5-[bromo-(4-chloro-3-fluorophenyl)methyl]-3-chlorothiophene (PubChem CID 107992049) has the molecular formula C11H5Br2Cl2FS and a molecular weight of 418.94 g/mol. Its IUPAC name is 2-bromo-5-[bromo-(4-chloro-3-fluorophenyl)methyl]-3-chlorothiophene.

Molecular Properties

Compound Name2-bromo-5-[bromo-(4-chloro-3-fluorophenyl)methyl]-3-chlorothiophene
PubChem CID107992049
Molecular FormulaC11H5Br2Cl2FS
Molecular Weight418.94 g/mol
Exact Mass415.78
IUPAC Name2-bromo-5-[bromo-(4-chloro-3-fluorophenyl)methyl]-3-chlorothiophene
SMILESFc1cc(C(Br)c2cc(Cl)c(Br)s2)ccc1Cl
InChIInChI=1S/C11H5Br2Cl2FS/c12-10(9-4-7(15)11(13)17-9)5-1-2-6(14)8(16)3-5/h1-4,10H
InChIKeyRLIGMVPQRDKHNQ-UHFFFAOYSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.94
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-5-[bromo-(4-chloro-3-fluorophenyl)methyl]-3-chlorothiophene 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-[bromo-(4-chloro-3-fluorophenyl)methyl]-3-chlorothiophene?
The IUPAC name of 2-bromo-5-[bromo-(4-chloro-3-fluorophenyl)methyl]-3-chlorothiophene (CID 107992049) is 2-bromo-5-[bromo-(4-chloro-3-fluorophenyl)methyl]-3-chlorothiophene.
What is the SMILES notation for 2-bromo-5-[bromo-(4-chloro-3-fluorophenyl)methyl]-3-chlorothiophene?
The canonical SMILES for 2-bromo-5-[bromo-(4-chloro-3-fluorophenyl)methyl]-3-chlorothiophene is Fc1cc(C(Br)c2cc(Cl)c(Br)s2)ccc1Cl.
What is the InChIKey of 2-bromo-5-[bromo-(4-chloro-3-fluorophenyl)methyl]-3-chlorothiophene?
The InChIKey is RLIGMVPQRDKHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br2Cl2FS/c12-10(9-4-7(15)11(13)17-9)5-1-2-6(14)8(16)3-5/h1-4,10H.
What are the key properties of 2-bromo-5-[bromo-(4-chloro-3-fluorophenyl)methyl]-3-chlorothiophene?
2-bromo-5-[bromo-(4-chloro-3-fluorophenyl)methyl]-3-chlorothiophene has a molecular weight of 418.94 g/mol, XLogP of 6.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[bromo-(4-chloro-3-fluorophenyl)methyl]-3-chlorothiophene is sourced from PubChem (CID 107992049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).