3-bromo-2-chloro-5-[1-chloro-2-(3-chlorophenyl)ethyl]thiophene

C12H8BrCl3S — CID 102836654

IUPAC3-bromo-2-chloro-5-[1-chloro-2-(3-chlorophenyl)ethyl]thiophene
SMILESClc1cccc(CC(Cl)c2cc(Br)c(Cl)s2)c1
InChIInChI=1S/C12H8BrCl3S/c13-9-6-11(17-12(9)16)10(15)5-7-2-1-3-8(14)4-7/h1-4,6,10H,5H2
InChIKeyCRINRBQXHBRGAB-UHFFFAOYSA-N
MW370.53 g/mol
LogP6.34
Rot. Bonds3

About 3-bromo-2-chloro-5-[1-chloro-2-(3-chlorophenyl)ethyl]thiophene

3-bromo-2-chloro-5-[1-chloro-2-(3-chlorophenyl)ethyl]thiophene (PubChem CID 102836654) has the molecular formula C12H8BrCl3S and a molecular weight of 370.53 g/mol. Its IUPAC name is 3-bromo-2-chloro-5-[1-chloro-2-(3-chlorophenyl)ethyl]thiophene.

Molecular Properties

Compound Name3-bromo-2-chloro-5-[1-chloro-2-(3-chlorophenyl)ethyl]thiophene
PubChem CID102836654
Molecular FormulaC12H8BrCl3S
Molecular Weight370.53 g/mol
Exact Mass367.86
IUPAC Name3-bromo-2-chloro-5-[1-chloro-2-(3-chlorophenyl)ethyl]thiophene
SMILESClc1cccc(CC(Cl)c2cc(Br)c(Cl)s2)c1
InChIInChI=1S/C12H8BrCl3S/c13-9-6-11(17-12(9)16)10(15)5-7-2-1-3-8(14)4-7/h1-4,6,10H,5H2
InChIKeyCRINRBQXHBRGAB-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.53
LogP ≤ 56.34
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-5-[2-(3-bromophenyl)-1-chloroethyl]-2-chlorothiophene
CID 102836380
2-bromo-5-[1-chloro-2-(3-chlorophenyl)ethyl]-3-methylthiophene
CID 79997119
3-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]thiophene
CID 63799658
1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4-iodobenzene
CID 114026446
3-bromo-2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]thiophene
CID 102836398
1-chloro-3-(2-chloro-2-phenylethyl)benzene
CID 4737542
3-bromo-2-chloro-5-(1-chlorobutyl)thiophene
CID 102836404
1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4,5-dimethoxybenzene
CID 63432399
1-(5-bromothiophen-2-yl)-2-(3-chlorophenyl)ethanamine
CID 62504605
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-2-phenylethanamine
CID 102828408
N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-bromophenyl)ethyl]propan-1-amine
CID 102828771
1-(3-bromo-5-methylthiophen-2-yl)-2-(3-chlorophenyl)ethanol
CID 65278533

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-5-[1-chloro-2-(3-chlorophenyl)ethyl]thiophene?
The IUPAC name of 3-bromo-2-chloro-5-[1-chloro-2-(3-chlorophenyl)ethyl]thiophene (CID 102836654) is 3-bromo-2-chloro-5-[1-chloro-2-(3-chlorophenyl)ethyl]thiophene.
What is the SMILES notation for 3-bromo-2-chloro-5-[1-chloro-2-(3-chlorophenyl)ethyl]thiophene?
The canonical SMILES for 3-bromo-2-chloro-5-[1-chloro-2-(3-chlorophenyl)ethyl]thiophene is Clc1cccc(CC(Cl)c2cc(Br)c(Cl)s2)c1.
What is the InChIKey of 3-bromo-2-chloro-5-[1-chloro-2-(3-chlorophenyl)ethyl]thiophene?
The InChIKey is CRINRBQXHBRGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl3S/c13-9-6-11(17-12(9)16)10(15)5-7-2-1-3-8(14)4-7/h1-4,6,10H,5H2.
What are the key properties of 3-bromo-2-chloro-5-[1-chloro-2-(3-chlorophenyl)ethyl]thiophene?
3-bromo-2-chloro-5-[1-chloro-2-(3-chlorophenyl)ethyl]thiophene has a molecular weight of 370.53 g/mol, XLogP of 6.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-5-[1-chloro-2-(3-chlorophenyl)ethyl]thiophene is sourced from PubChem (CID 102836654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).