2-[bromo-(4-bromo-2-chlorophenyl)methyl]-5-chlorothiophene

C11H6Br2Cl2S — CID 63441426

IUPAC2-[bromo-(4-bromo-2-chlorophenyl)methyl]-5-chlorothiophene
SMILESClc1ccc(C(Br)c2ccc(Br)cc2Cl)s1
InChIInChI=1S/C11H6Br2Cl2S/c12-6-1-2-7(8(14)5-6)11(13)9-3-4-10(15)16-9/h1-5,11H
InChIKeyAFRJGJNTXHVFIJ-UHFFFAOYSA-N
MW400.95 g/mol
LogP6.30
Rot. Bonds2

About 2-[bromo-(4-bromo-2-chlorophenyl)methyl]-5-chlorothiophene

2-[bromo-(4-bromo-2-chlorophenyl)methyl]-5-chlorothiophene (PubChem CID 63441426) has the molecular formula C11H6Br2Cl2S and a molecular weight of 400.95 g/mol. Its IUPAC name is 2-[bromo-(4-bromo-2-chlorophenyl)methyl]-5-chlorothiophene.

Molecular Properties

Compound Name2-[bromo-(4-bromo-2-chlorophenyl)methyl]-5-chlorothiophene
PubChem CID63441426
Molecular FormulaC11H6Br2Cl2S
Molecular Weight400.95 g/mol
Exact Mass397.79
IUPAC Name2-[bromo-(4-bromo-2-chlorophenyl)methyl]-5-chlorothiophene
SMILESClc1ccc(C(Br)c2ccc(Br)cc2Cl)s1
InChIInChI=1S/C11H6Br2Cl2S/c12-6-1-2-7(8(14)5-6)11(13)9-3-4-10(15)16-9/h1-5,11H
InChIKeyAFRJGJNTXHVFIJ-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.95
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[bromo-(4-bromo-2-chlorophenyl)methyl]-5-methylthiophene
CID 63435870
2-[bromo-(5-bromo-2-fluorophenyl)methyl]-5-chlorothiophene
CID 63441250
3-[bromo-(4-bromo-2-chlorophenyl)methyl]-2,5-dichlorothiophene
CID 63444900
1-(4-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 115841576
2-[bromo-(2-chloro-4-methylphenyl)methyl]-5-ethylthiophene
CID 106862993
2-[bromo-(2-iodophenyl)methyl]-5-chlorothiophene
CID 63441740
2-[bromo-(3-bromo-5-fluorophenyl)methyl]-5-chlorothiophene
CID 63441337
2-bromo-5-[bromo-(2-chloro-4-methylphenyl)methyl]-3-chlorothiophene
CID 106863221
2-[bromo-(4-bromo-2-chlorophenyl)methyl]-3,5-dimethylthiophene
CID 81158554
2-[bromo-(4-bromo-2-chlorophenyl)methyl]-1,4-dichlorobenzene
CID 63445029
2-[bromo-(5-bromo-2-chlorophenyl)methyl]-5-ethylthiophene
CID 63439227
2-[bromo-(3,5-difluorophenyl)methyl]-5-chlorothiophene
CID 63441429

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(4-bromo-2-chlorophenyl)methyl]-5-chlorothiophene?
The IUPAC name of 2-[bromo-(4-bromo-2-chlorophenyl)methyl]-5-chlorothiophene (CID 63441426) is 2-[bromo-(4-bromo-2-chlorophenyl)methyl]-5-chlorothiophene.
What is the SMILES notation for 2-[bromo-(4-bromo-2-chlorophenyl)methyl]-5-chlorothiophene?
The canonical SMILES for 2-[bromo-(4-bromo-2-chlorophenyl)methyl]-5-chlorothiophene is Clc1ccc(C(Br)c2ccc(Br)cc2Cl)s1.
What is the InChIKey of 2-[bromo-(4-bromo-2-chlorophenyl)methyl]-5-chlorothiophene?
The InChIKey is AFRJGJNTXHVFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2Cl2S/c12-6-1-2-7(8(14)5-6)11(13)9-3-4-10(15)16-9/h1-5,11H.
What are the key properties of 2-[bromo-(4-bromo-2-chlorophenyl)methyl]-5-chlorothiophene?
2-[bromo-(4-bromo-2-chlorophenyl)methyl]-5-chlorothiophene has a molecular weight of 400.95 g/mol, XLogP of 6.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(4-bromo-2-chlorophenyl)methyl]-5-chlorothiophene is sourced from PubChem (CID 63441426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).