3-bromo-5-[(2-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene

C11H5Br2Cl2FS — CID 102836447

IUPAC3-bromo-5-[(2-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene
SMILESFc1cccc(C(Cl)c2cc(Br)c(Cl)s2)c1Br
InChIInChI=1S/C11H5Br2Cl2FS/c12-6-4-8(17-11(6)15)10(14)5-2-1-3-7(16)9(5)13/h1-4,10H
InChIKeyIHYPCPYUBJXRNB-UHFFFAOYSA-N
MW418.94 g/mol
LogP6.39
Rot. Bonds2

About 3-bromo-5-[(2-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene

3-bromo-5-[(2-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene (PubChem CID 102836447) has the molecular formula C11H5Br2Cl2FS and a molecular weight of 418.94 g/mol. Its IUPAC name is 3-bromo-5-[(2-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene.

Molecular Properties

Compound Name3-bromo-5-[(2-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene
PubChem CID102836447
Molecular FormulaC11H5Br2Cl2FS
Molecular Weight418.94 g/mol
Exact Mass415.78
IUPAC Name3-bromo-5-[(2-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene
SMILESFc1cccc(C(Cl)c2cc(Br)c(Cl)s2)c1Br
InChIInChI=1S/C11H5Br2Cl2FS/c12-6-4-8(17-11(6)15)10(14)5-2-1-3-7(16)9(5)13/h1-4,10H
InChIKeyIHYPCPYUBJXRNB-UHFFFAOYSA-N
XLogP6.39
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 ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-bromo-5-[(2-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene 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

3-bromo-2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]thiophene
CID 102836292
3-bromo-2-chloro-5-[chloro-(2-iodophenyl)methyl]thiophene
CID 102836626
3-bromo-5-[(4-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene
CID 102836567
5-[(2-bromo-3-methylphenyl)-chloromethyl]-2-chloro-3-methylthiophene
CID 107983647
3-bromo-2-chloro-5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]thiophene
CID 107965054
3-bromo-5-[1-bromo-2-(2,6-difluorophenyl)ethyl]-2-chlorothiophene
CID 102836863
2,3-dibromo-5-[chloro-(5-chloro-2-fluorophenyl)methyl]thiophene
CID 80534385
2-[(4-bromo-5-chlorothiophen-2-yl)-chloromethyl]furan
CID 102836630
5-[(3-bromo-2-chlorophenyl)-chloromethyl]-2-chloro-3-methylthiophene
CID 102764800
3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-chlorothiophene
CID 102836918
3-bromo-5-[(4-bromo-2-methoxyphenyl)-chloromethyl]-2-chlorothiophene
CID 102836336
3-bromo-5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chlorothiophene
CID 102836767

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(2-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene?
The IUPAC name of 3-bromo-5-[(2-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene (CID 102836447) is 3-bromo-5-[(2-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene.
What is the SMILES notation for 3-bromo-5-[(2-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene?
The canonical SMILES for 3-bromo-5-[(2-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene is Fc1cccc(C(Cl)c2cc(Br)c(Cl)s2)c1Br.
What is the InChIKey of 3-bromo-5-[(2-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene?
The InChIKey is IHYPCPYUBJXRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br2Cl2FS/c12-6-4-8(17-11(6)15)10(14)5-2-1-3-7(16)9(5)13/h1-4,10H.
What are the key properties of 3-bromo-5-[(2-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene?
3-bromo-5-[(2-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene has a molecular weight of 418.94 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(2-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene is sourced from PubChem (CID 102836447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).