2-bromo-3-chloro-5-[1-chloro-2-(3,4-dichlorophenyl)ethyl]thiophene

C12H7BrCl4S — CID 80533591

IUPAC2-bromo-3-chloro-5-[1-chloro-2-(3,4-dichlorophenyl)ethyl]thiophene
SMILESClc1ccc(CC(Cl)c2cc(Cl)c(Br)s2)cc1Cl
InChIInChI=1S/C12H7BrCl4S/c13-12-10(17)5-11(18-12)9(16)4-6-1-2-7(14)8(15)3-6/h1-3,5,9H,4H2
InChIKeyKZRVJZZLKWTNHT-UHFFFAOYSA-N
MW404.97 g/mol
LogP6.99
Rot. Bonds3

About 2-bromo-3-chloro-5-[1-chloro-2-(3,4-dichlorophenyl)ethyl]thiophene

2-bromo-3-chloro-5-[1-chloro-2-(3,4-dichlorophenyl)ethyl]thiophene (PubChem CID 80533591) has the molecular formula C12H7BrCl4S and a molecular weight of 404.97 g/mol. Its IUPAC name is 2-bromo-3-chloro-5-[1-chloro-2-(3,4-dichlorophenyl)ethyl]thiophene.

Molecular Properties

Compound Name2-bromo-3-chloro-5-[1-chloro-2-(3,4-dichlorophenyl)ethyl]thiophene
PubChem CID80533591
Molecular FormulaC12H7BrCl4S
Molecular Weight404.97 g/mol
Exact Mass401.82
IUPAC Name2-bromo-3-chloro-5-[1-chloro-2-(3,4-dichlorophenyl)ethyl]thiophene
SMILESClc1ccc(CC(Cl)c2cc(Cl)c(Br)s2)cc1Cl
InChIInChI=1S/C12H7BrCl4S/c13-12-10(17)5-11(18-12)9(16)4-6-1-2-7(14)8(15)3-6/h1-3,5,9H,4H2
InChIKeyKZRVJZZLKWTNHT-UHFFFAOYSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.97
LogP ≤ 56.99
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-3-chloro-5-[1-chloro-2-(4-chlorophenyl)ethyl]thiophene
CID 80533733
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanol
CID 80531983
2,5-dibromo-3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]thiophene
CID 55197767
2-bromo-3-chloro-5-(1-chloropropyl)thiophene
CID 80533388
2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene
CID 63531101
1-(5-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanamine
CID 55148283
1-(2,5-dibromothiophen-3-yl)-2-(3,4-dichlorophenyl)ethanol
CID 63426686
4-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine
CID 80538308
1-(5-bromo-4-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanamine
CID 80530877
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3,4-dimethylphenyl)ethanol
CID 80533300
2-bromo-5-[1-chloro-2-(3-chlorophenyl)ethyl]-3-methylthiophene
CID 79997119
2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]pyrimidine
CID 114552967

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-5-[1-chloro-2-(3,4-dichlorophenyl)ethyl]thiophene?
The IUPAC name of 2-bromo-3-chloro-5-[1-chloro-2-(3,4-dichlorophenyl)ethyl]thiophene (CID 80533591) is 2-bromo-3-chloro-5-[1-chloro-2-(3,4-dichlorophenyl)ethyl]thiophene.
What is the SMILES notation for 2-bromo-3-chloro-5-[1-chloro-2-(3,4-dichlorophenyl)ethyl]thiophene?
The canonical SMILES for 2-bromo-3-chloro-5-[1-chloro-2-(3,4-dichlorophenyl)ethyl]thiophene is Clc1ccc(CC(Cl)c2cc(Cl)c(Br)s2)cc1Cl.
What is the InChIKey of 2-bromo-3-chloro-5-[1-chloro-2-(3,4-dichlorophenyl)ethyl]thiophene?
The InChIKey is KZRVJZZLKWTNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl4S/c13-12-10(17)5-11(18-12)9(16)4-6-1-2-7(14)8(15)3-6/h1-3,5,9H,4H2.
What are the key properties of 2-bromo-3-chloro-5-[1-chloro-2-(3,4-dichlorophenyl)ethyl]thiophene?
2-bromo-3-chloro-5-[1-chloro-2-(3,4-dichlorophenyl)ethyl]thiophene has a molecular weight of 404.97 g/mol, XLogP of 6.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-5-[1-chloro-2-(3,4-dichlorophenyl)ethyl]thiophene is sourced from PubChem (CID 80533591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).