2-chloro-5-[2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethyl]thiophene

C10H5Cl5S2 — CID 12063628

IUPAC2-chloro-5-[2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethyl]thiophene
SMILESClc1ccc(C(c2ccc(Cl)s2)C(Cl)(Cl)Cl)s1
InChIInChI=1S/C10H5Cl5S2/c11-7-3-1-5(16-7)9(10(13,14)15)6-2-4-8(12)17-6/h1-4,9H
InChIKeyZVFQMDDHXFGYCP-UHFFFAOYSA-N
MW366.55 g/mol
LogP6.62
Rot. Bonds2

About 2-chloro-5-[2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethyl]thiophene

2-chloro-5-[2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethyl]thiophene (PubChem CID 12063628) has the molecular formula C10H5Cl5S2 and a molecular weight of 366.55 g/mol. Its IUPAC name is 2-chloro-5-[2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethyl]thiophene.

Molecular Properties

Compound Name2-chloro-5-[2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethyl]thiophene
PubChem CID12063628
Molecular FormulaC10H5Cl5S2
Molecular Weight366.55 g/mol
Exact Mass363.83
IUPAC Name2-chloro-5-[2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethyl]thiophene
SMILESClc1ccc(C(c2ccc(Cl)s2)C(Cl)(Cl)Cl)s1
InChIInChI=1S/C10H5Cl5S2/c11-7-3-1-5(16-7)9(10(13,14)15)6-2-4-8(12)17-6/h1-4,9H
InChIKeyZVFQMDDHXFGYCP-UHFFFAOYSA-N
XLogP6.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethyl]thiophene?
The IUPAC name of 2-chloro-5-[2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethyl]thiophene (CID 12063628) is 2-chloro-5-[2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethyl]thiophene.
What is the SMILES notation for 2-chloro-5-[2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethyl]thiophene?
The canonical SMILES for 2-chloro-5-[2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethyl]thiophene is Clc1ccc(C(c2ccc(Cl)s2)C(Cl)(Cl)Cl)s1.
What is the InChIKey of 2-chloro-5-[2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethyl]thiophene?
The InChIKey is ZVFQMDDHXFGYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl5S2/c11-7-3-1-5(16-7)9(10(13,14)15)6-2-4-8(12)17-6/h1-4,9H.
What are the key properties of 2-chloro-5-[2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethyl]thiophene?
2-chloro-5-[2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethyl]thiophene has a molecular weight of 366.55 g/mol, XLogP of 6.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethyl]thiophene is sourced from PubChem (CID 12063628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).