4-chloro-2-[2-(chloromethyl)cyclopropyl]thiophene

C8H8Cl2S — CID 81358122

IUPAC4-chloro-2-[2-(chloromethyl)cyclopropyl]thiophene
SMILESClCC1CC1c1cc(Cl)cs1
InChIInChI=1S/C8H8Cl2S/c9-3-5-1-7(5)8-2-6(10)4-11-8/h2,4-5,7H,1,3H2
InChIKeyOPUCBBLHJXIMCG-UHFFFAOYSA-N
MW207.12 g/mol
LogP3.74
Rot. Bonds2

About 4-chloro-2-[2-(chloromethyl)cyclopropyl]thiophene

4-chloro-2-[2-(chloromethyl)cyclopropyl]thiophene (PubChem CID 81358122) has the molecular formula C8H8Cl2S and a molecular weight of 207.12 g/mol. Its IUPAC name is 4-chloro-2-[2-(chloromethyl)cyclopropyl]thiophene.

Molecular Properties

Compound Name4-chloro-2-[2-(chloromethyl)cyclopropyl]thiophene
PubChem CID81358122
Molecular FormulaC8H8Cl2S
Molecular Weight207.12 g/mol
Exact Mass205.97
IUPAC Name4-chloro-2-[2-(chloromethyl)cyclopropyl]thiophene
SMILESClCC1CC1c1cc(Cl)cs1
InChIInChI=1S/C8H8Cl2S/c9-3-5-1-7(5)8-2-6(10)4-11-8/h2,4-5,7H,1,3H2
InChIKeyOPUCBBLHJXIMCG-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.12
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-chloro-2-[2-(chloromethyl)cyclopropyl]thiophene?
The IUPAC name of 4-chloro-2-[2-(chloromethyl)cyclopropyl]thiophene (CID 81358122) is 4-chloro-2-[2-(chloromethyl)cyclopropyl]thiophene.
What is the SMILES notation for 4-chloro-2-[2-(chloromethyl)cyclopropyl]thiophene?
The canonical SMILES for 4-chloro-2-[2-(chloromethyl)cyclopropyl]thiophene is ClCC1CC1c1cc(Cl)cs1.
What is the InChIKey of 4-chloro-2-[2-(chloromethyl)cyclopropyl]thiophene?
The InChIKey is OPUCBBLHJXIMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2S/c9-3-5-1-7(5)8-2-6(10)4-11-8/h2,4-5,7H,1,3H2.
What are the key properties of 4-chloro-2-[2-(chloromethyl)cyclopropyl]thiophene?
4-chloro-2-[2-(chloromethyl)cyclopropyl]thiophene has a molecular weight of 207.12 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(chloromethyl)cyclopropyl]thiophene is sourced from PubChem (CID 81358122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).