4-[chloro-(4-chlorophenyl)methyl]-2-iodothiophene

C11H7Cl2IS — CID 79684464

IUPAC4-[chloro-(4-chlorophenyl)methyl]-2-iodothiophene
SMILESClc1ccc(C(Cl)c2csc(I)c2)cc1
InChIInChI=1S/C11H7Cl2IS/c12-9-3-1-7(2-4-9)11(13)8-5-10(14)15-6-8/h1-6,11H
InChIKeyJUFVIVMPIZTYAW-UHFFFAOYSA-N
MW369.05 g/mol
LogP5.33
Rot. Bonds2

About 4-[chloro-(4-chlorophenyl)methyl]-2-iodothiophene

4-[chloro-(4-chlorophenyl)methyl]-2-iodothiophene (PubChem CID 79684464) has the molecular formula C11H7Cl2IS and a molecular weight of 369.05 g/mol. Its IUPAC name is 4-[chloro-(4-chlorophenyl)methyl]-2-iodothiophene.

Molecular Properties

Compound Name4-[chloro-(4-chlorophenyl)methyl]-2-iodothiophene
PubChem CID79684464
Molecular FormulaC11H7Cl2IS
Molecular Weight369.05 g/mol
Exact Mass367.87
IUPAC Name4-[chloro-(4-chlorophenyl)methyl]-2-iodothiophene
SMILESClc1ccc(C(Cl)c2csc(I)c2)cc1
InChIInChI=1S/C11H7Cl2IS/c12-9-3-1-7(2-4-9)11(13)8-5-10(14)15-6-8/h1-6,11H
InChIKeyJUFVIVMPIZTYAW-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.05
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-bromo-4-fluorophenyl)-chloromethyl]-2-iodothiophene
CID 79743303
4-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-2-iodothiophene
CID 107477290
4-[chloro-(4-methoxy-3-methylphenyl)methyl]-2-iodothiophene
CID 79683826
7-[chloro-(5-iodothiophen-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 79684711
4-[1-bromo-2-(4-chlorophenyl)ethyl]-2-iodothiophene
CID 79691582
4-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-2-iodothiophene
CID 79684320
2,5-dichloro-3-[chloro-(5-iodothiophen-3-yl)methyl]thiophene
CID 79683590
2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-iodobenzene
CID 103210535
5-[chloro-(5-iodothiophen-3-yl)methyl]-2,2-dimethyl-3H-1-benzofuran
CID 79683676
1-bromo-4-[(S)-chloro-(4-chlorophenyl)methyl]benzene
CID 94201521
2-(2,5-dichlorophenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
CID 115863017
4-[(4-bromonaphthalen-1-yl)-chloromethyl]-2-iodothiophene
CID 79683678

Frequently Asked Questions

What is the IUPAC name of 4-[chloro-(4-chlorophenyl)methyl]-2-iodothiophene?
The IUPAC name of 4-[chloro-(4-chlorophenyl)methyl]-2-iodothiophene (CID 79684464) is 4-[chloro-(4-chlorophenyl)methyl]-2-iodothiophene.
What is the SMILES notation for 4-[chloro-(4-chlorophenyl)methyl]-2-iodothiophene?
The canonical SMILES for 4-[chloro-(4-chlorophenyl)methyl]-2-iodothiophene is Clc1ccc(C(Cl)c2csc(I)c2)cc1.
What is the InChIKey of 4-[chloro-(4-chlorophenyl)methyl]-2-iodothiophene?
The InChIKey is JUFVIVMPIZTYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2IS/c12-9-3-1-7(2-4-9)11(13)8-5-10(14)15-6-8/h1-6,11H.
What are the key properties of 4-[chloro-(4-chlorophenyl)methyl]-2-iodothiophene?
4-[chloro-(4-chlorophenyl)methyl]-2-iodothiophene has a molecular weight of 369.05 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro-(4-chlorophenyl)methyl]-2-iodothiophene is sourced from PubChem (CID 79684464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).