3-[2-chloro-2-(4-iodophenyl)ethyl]thiophene

C12H10ClIS — CID 63518110

IUPAC3-[2-chloro-2-(4-iodophenyl)ethyl]thiophene
SMILESClC(Cc1ccsc1)c1ccc(I)cc1
InChIInChI=1S/C12H10ClIS/c13-12(7-9-5-6-15-8-9)10-1-3-11(14)4-2-10/h1-6,8,12H,7H2
InChIKeyFLXUELFCSGRROL-UHFFFAOYSA-N
MW348.64 g/mol
LogP4.88
Rot. Bonds3

About 3-[2-chloro-2-(4-iodophenyl)ethyl]thiophene

3-[2-chloro-2-(4-iodophenyl)ethyl]thiophene (PubChem CID 63518110) has the molecular formula C12H10ClIS and a molecular weight of 348.64 g/mol. Its IUPAC name is 3-[2-chloro-2-(4-iodophenyl)ethyl]thiophene.

Molecular Properties

Compound Name3-[2-chloro-2-(4-iodophenyl)ethyl]thiophene
PubChem CID63518110
Molecular FormulaC12H10ClIS
Molecular Weight348.64 g/mol
Exact Mass347.92
IUPAC Name3-[2-chloro-2-(4-iodophenyl)ethyl]thiophene
SMILESClC(Cc1ccsc1)c1ccc(I)cc1
InChIInChI=1S/C12H10ClIS/c13-12(7-9-5-6-15-8-9)10-1-3-11(14)4-2-10/h1-6,8,12H,7H2
InChIKeyFLXUELFCSGRROL-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.64
LogP ≤ 54.88
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

3-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]thiophene
CID 63017182
3-[2-chloro-2-(3,5-difluorophenyl)ethyl]thiophene
CID 63016253
1-(4-iodophenyl)-3-thiophen-3-ylpropan-2-ol
CID 105101095
N-ethyl-1-(4-iodophenyl)-2-thiophen-3-ylethanamine
CID 61078389
1-bromo-4-[2-chloro-2-(4-iodophenyl)ethyl]benzene
CID 63520066
1-[1-chloro-2-(4-fluorophenyl)ethyl]-4-iodobenzene
CID 55224826
3-[2-(3-bromo-5-chlorophenyl)-2-chloroethyl]thiophene
CID 107957931
3-(1-chloro-2-thiophen-3-ylethyl)-2,4,5-trimethylfuran
CID 65152447
3-[1-chloro-2-(3,4-dimethylphenyl)ethyl]thiophene
CID 63520389
2,5-dichloro-3-(1-chloro-2-thiophen-3-ylethyl)thiophene
CID 107965730
3-(2-chloro-2-naphthalen-1-ylethyl)thiophene
CID 63520029
4-(2-chloro-2-thiophen-3-ylethyl)pyridine
CID 66461794

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-2-(4-iodophenyl)ethyl]thiophene?
The IUPAC name of 3-[2-chloro-2-(4-iodophenyl)ethyl]thiophene (CID 63518110) is 3-[2-chloro-2-(4-iodophenyl)ethyl]thiophene.
What is the SMILES notation for 3-[2-chloro-2-(4-iodophenyl)ethyl]thiophene?
The canonical SMILES for 3-[2-chloro-2-(4-iodophenyl)ethyl]thiophene is ClC(Cc1ccsc1)c1ccc(I)cc1.
What is the InChIKey of 3-[2-chloro-2-(4-iodophenyl)ethyl]thiophene?
The InChIKey is FLXUELFCSGRROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClIS/c13-12(7-9-5-6-15-8-9)10-1-3-11(14)4-2-10/h1-6,8,12H,7H2.
What are the key properties of 3-[2-chloro-2-(4-iodophenyl)ethyl]thiophene?
3-[2-chloro-2-(4-iodophenyl)ethyl]thiophene has a molecular weight of 348.64 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-2-(4-iodophenyl)ethyl]thiophene is sourced from PubChem (CID 63518110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).