2-[2-chloro-2-(2,5-dichlorophenyl)ethyl]thiophene

C12H9Cl3S — CID 63520249

IUPAC2-[2-chloro-2-(2,5-dichlorophenyl)ethyl]thiophene
SMILESClc1ccc(Cl)c(C(Cl)Cc2cccs2)c1
InChIInChI=1S/C12H9Cl3S/c13-8-3-4-11(14)10(6-8)12(15)7-9-2-1-5-16-9/h1-6,12H,7H2
InChIKeyKBABQNLXXFACNV-UHFFFAOYSA-N
MW291.63 g/mol
LogP5.58
Rot. Bonds3

About 2-[2-chloro-2-(2,5-dichlorophenyl)ethyl]thiophene

2-[2-chloro-2-(2,5-dichlorophenyl)ethyl]thiophene (PubChem CID 63520249) has the molecular formula C12H9Cl3S and a molecular weight of 291.63 g/mol. Its IUPAC name is 2-[2-chloro-2-(2,5-dichlorophenyl)ethyl]thiophene.

Molecular Properties

Compound Name2-[2-chloro-2-(2,5-dichlorophenyl)ethyl]thiophene
PubChem CID63520249
Molecular FormulaC12H9Cl3S
Molecular Weight291.63 g/mol
Exact Mass289.95
IUPAC Name2-[2-chloro-2-(2,5-dichlorophenyl)ethyl]thiophene
SMILESClc1ccc(Cl)c(C(Cl)Cc2cccs2)c1
InChIInChI=1S/C12H9Cl3S/c13-8-3-4-11(14)10(6-8)12(15)7-9-2-1-5-16-9/h1-6,12H,7H2
InChIKeyKBABQNLXXFACNV-UHFFFAOYSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.63
LogP ≤ 55.58
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-[2-chloro-2-(2-chloro-4-fluorophenyl)ethyl]thiophene
CID 63519031
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CID 55249874
2-[2-chloro-2-(2,5-dibromophenyl)ethyl]thiophene
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2-[2-chloro-2-(2-methylsulfanylphenyl)ethyl]thiophene
CID 79206449
2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]thiophene
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1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol
CID 114854584
1-(5-chloro-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine
CID 114728319
1-(2,5-dichlorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 105100465
1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-2-amine
CID 107884640
1-(2,5-difluorophenyl)-2-thiophen-2-ylethanol
CID 62802428
3-chloro-2-(1-chloro-2-thiophen-2-ylethyl)-4-methylthiophene
CID 103405682
[1-(5-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-yl]hydrazine
CID 103053551

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(2,5-dichlorophenyl)ethyl]thiophene?
The IUPAC name of 2-[2-chloro-2-(2,5-dichlorophenyl)ethyl]thiophene (CID 63520249) is 2-[2-chloro-2-(2,5-dichlorophenyl)ethyl]thiophene.
What is the SMILES notation for 2-[2-chloro-2-(2,5-dichlorophenyl)ethyl]thiophene?
The canonical SMILES for 2-[2-chloro-2-(2,5-dichlorophenyl)ethyl]thiophene is Clc1ccc(Cl)c(C(Cl)Cc2cccs2)c1.
What is the InChIKey of 2-[2-chloro-2-(2,5-dichlorophenyl)ethyl]thiophene?
The InChIKey is KBABQNLXXFACNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3S/c13-8-3-4-11(14)10(6-8)12(15)7-9-2-1-5-16-9/h1-6,12H,7H2.
What are the key properties of 2-[2-chloro-2-(2,5-dichlorophenyl)ethyl]thiophene?
2-[2-chloro-2-(2,5-dichlorophenyl)ethyl]thiophene has a molecular weight of 291.63 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-2-(2,5-dichlorophenyl)ethyl]thiophene is sourced from PubChem (CID 63520249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).