3-[bromo-(2-bromo-4-chlorophenyl)methyl]-2,5-dichlorothiophene

C11H5Br2Cl3S — CID 107991757

IUPAC3-[bromo-(2-bromo-4-chlorophenyl)methyl]-2,5-dichlorothiophene
SMILESClc1ccc(C(Br)c2cc(Cl)sc2Cl)c(Br)c1
InChIInChI=1S/C11H5Br2Cl3S/c12-8-3-5(14)1-2-6(8)10(13)7-4-9(15)17-11(7)16/h1-4,10H
InChIKeyXUGOINSWNDUGBC-UHFFFAOYSA-N
MW435.40 g/mol
LogP6.96
Rot. Bonds2

About 3-[bromo-(2-bromo-4-chlorophenyl)methyl]-2,5-dichlorothiophene

3-[bromo-(2-bromo-4-chlorophenyl)methyl]-2,5-dichlorothiophene (PubChem CID 107991757) has the molecular formula C11H5Br2Cl3S and a molecular weight of 435.40 g/mol. Its IUPAC name is 3-[bromo-(2-bromo-4-chlorophenyl)methyl]-2,5-dichlorothiophene.

Molecular Properties

Compound Name3-[bromo-(2-bromo-4-chlorophenyl)methyl]-2,5-dichlorothiophene
PubChem CID107991757
Molecular FormulaC11H5Br2Cl3S
Molecular Weight435.40 g/mol
Exact Mass431.75
IUPAC Name3-[bromo-(2-bromo-4-chlorophenyl)methyl]-2,5-dichlorothiophene
SMILESClc1ccc(C(Br)c2cc(Cl)sc2Cl)c(Br)c1
InChIInChI=1S/C11H5Br2Cl3S/c12-8-3-5(14)1-2-6(8)10(13)7-4-9(15)17-11(7)16/h1-4,10H
InChIKeyXUGOINSWNDUGBC-UHFFFAOYSA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.40
LogP ≤ 56.96
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

3-[bromo-(4-bromo-2-chlorophenyl)methyl]-2,5-dichlorothiophene
CID 63444900
3-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2,5-dichlorothiophene
CID 107333376
3-[bromo-(2,4-dimethylphenyl)methyl]-2,5-dichlorothiophene
CID 63444945
2-[bromo-(2-bromo-4-chlorophenyl)methyl]-5-methylthiophene
CID 107991587
2-[bromo-(2-bromo-4-chlorophenyl)methyl]-3,5-dimethylthiophene
CID 107992094
6-bromo-7-[bromo-(2-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 107991736
2-[bromo-(2-bromo-4-chlorophenyl)methyl]-5-ethylthiophene
CID 107991596
(2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 63426938
2-bromo-1-[bromo-(3,4-difluorophenyl)methyl]-4-chlorobenzene
CID 114024911
3-[bromo(naphthalen-1-yl)methyl]-2,5-dichlorothiophene
CID 63444904
(4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 61082809
5-bromo-6-[bromo-(2-bromo-4-chlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 107991847

Frequently Asked Questions

What is the IUPAC name of 3-[bromo-(2-bromo-4-chlorophenyl)methyl]-2,5-dichlorothiophene?
The IUPAC name of 3-[bromo-(2-bromo-4-chlorophenyl)methyl]-2,5-dichlorothiophene (CID 107991757) is 3-[bromo-(2-bromo-4-chlorophenyl)methyl]-2,5-dichlorothiophene.
What is the SMILES notation for 3-[bromo-(2-bromo-4-chlorophenyl)methyl]-2,5-dichlorothiophene?
The canonical SMILES for 3-[bromo-(2-bromo-4-chlorophenyl)methyl]-2,5-dichlorothiophene is Clc1ccc(C(Br)c2cc(Cl)sc2Cl)c(Br)c1.
What is the InChIKey of 3-[bromo-(2-bromo-4-chlorophenyl)methyl]-2,5-dichlorothiophene?
The InChIKey is XUGOINSWNDUGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br2Cl3S/c12-8-3-5(14)1-2-6(8)10(13)7-4-9(15)17-11(7)16/h1-4,10H.
What are the key properties of 3-[bromo-(2-bromo-4-chlorophenyl)methyl]-2,5-dichlorothiophene?
3-[bromo-(2-bromo-4-chlorophenyl)methyl]-2,5-dichlorothiophene has a molecular weight of 435.40 g/mol, XLogP of 6.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bromo-(2-bromo-4-chlorophenyl)methyl]-2,5-dichlorothiophene is sourced from PubChem (CID 107991757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).