2-[2-(chloromethyl)-1-methylcyclopropyl]-5-ethylthiophene

C11H15ClS — CID 81357305

IUPAC2-[2-(chloromethyl)-1-methylcyclopropyl]-5-ethylthiophene
SMILESCCc1ccc(C2(C)CC2CCl)s1
InChIInChI=1S/C11H15ClS/c1-3-9-4-5-10(13-9)11(2)6-8(11)7-12/h4-5,8H,3,6-7H2,1-2H3
InChIKeyHURLNJODNWJXIW-UHFFFAOYSA-N
MW214.76 g/mol
LogP3.83
Rot. Bonds3

About 2-[2-(chloromethyl)-1-methylcyclopropyl]-5-ethylthiophene

2-[2-(chloromethyl)-1-methylcyclopropyl]-5-ethylthiophene (PubChem CID 81357305) has the molecular formula C11H15ClS and a molecular weight of 214.76 g/mol. Its IUPAC name is 2-[2-(chloromethyl)-1-methylcyclopropyl]-5-ethylthiophene.

Molecular Properties

Compound Name2-[2-(chloromethyl)-1-methylcyclopropyl]-5-ethylthiophene
PubChem CID81357305
Molecular FormulaC11H15ClS
Molecular Weight214.76 g/mol
Exact Mass214.06
IUPAC Name2-[2-(chloromethyl)-1-methylcyclopropyl]-5-ethylthiophene
SMILESCCc1ccc(C2(C)CC2CCl)s1
InChIInChI=1S/C11H15ClS/c1-3-9-4-5-10(13-9)11(2)6-8(11)7-12/h4-5,8H,3,6-7H2,1-2H3
InChIKeyHURLNJODNWJXIW-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.76
LogP ≤ 53.83
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 2-[2-(chloromethyl)-1-methylcyclopropyl]-5-ethylthiophene?
The IUPAC name of 2-[2-(chloromethyl)-1-methylcyclopropyl]-5-ethylthiophene (CID 81357305) is 2-[2-(chloromethyl)-1-methylcyclopropyl]-5-ethylthiophene.
What is the SMILES notation for 2-[2-(chloromethyl)-1-methylcyclopropyl]-5-ethylthiophene?
The canonical SMILES for 2-[2-(chloromethyl)-1-methylcyclopropyl]-5-ethylthiophene is CCc1ccc(C2(C)CC2CCl)s1.
What is the InChIKey of 2-[2-(chloromethyl)-1-methylcyclopropyl]-5-ethylthiophene?
The InChIKey is HURLNJODNWJXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClS/c1-3-9-4-5-10(13-9)11(2)6-8(11)7-12/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 2-[2-(chloromethyl)-1-methylcyclopropyl]-5-ethylthiophene?
2-[2-(chloromethyl)-1-methylcyclopropyl]-5-ethylthiophene has a molecular weight of 214.76 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)-1-methylcyclopropyl]-5-ethylthiophene is sourced from PubChem (CID 81357305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).