3-bromo-2-(1-chloro-2-cyclopropylpropyl)-5-methylthiophene

C11H14BrClS — CID 83148973

IUPAC3-bromo-2-(1-chloro-2-cyclopropylpropyl)-5-methylthiophene
SMILESCc1cc(Br)c(C(Cl)C(C)C2CC2)s1
InChIInChI=1S/C11H14BrClS/c1-6-5-9(12)11(14-6)10(13)7(2)8-3-4-8/h5,7-8,10H,3-4H2,1-2H3
InChIKeyGFEJSDUXNVFIOR-UHFFFAOYSA-N
MW293.66 g/mol
LogP5.15
Rot. Bonds3

About 3-bromo-2-(1-chloro-2-cyclopropylpropyl)-5-methylthiophene

3-bromo-2-(1-chloro-2-cyclopropylpropyl)-5-methylthiophene (PubChem CID 83148973) has the molecular formula C11H14BrClS and a molecular weight of 293.66 g/mol. Its IUPAC name is 3-bromo-2-(1-chloro-2-cyclopropylpropyl)-5-methylthiophene.

Molecular Properties

Compound Name3-bromo-2-(1-chloro-2-cyclopropylpropyl)-5-methylthiophene
PubChem CID83148973
Molecular FormulaC11H14BrClS
Molecular Weight293.66 g/mol
Exact Mass291.97
IUPAC Name3-bromo-2-(1-chloro-2-cyclopropylpropyl)-5-methylthiophene
SMILESCc1cc(Br)c(C(Cl)C(C)C2CC2)s1
InChIInChI=1S/C11H14BrClS/c1-6-5-9(12)11(14-6)10(13)7(2)8-3-4-8/h5,7-8,10H,3-4H2,1-2H3
InChIKeyGFEJSDUXNVFIOR-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.66
LogP ≤ 55.15
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 3-bromo-2-(1-chloro-2-cyclopropylpropyl)-5-methylthiophene?
The IUPAC name of 3-bromo-2-(1-chloro-2-cyclopropylpropyl)-5-methylthiophene (CID 83148973) is 3-bromo-2-(1-chloro-2-cyclopropylpropyl)-5-methylthiophene.
What is the SMILES notation for 3-bromo-2-(1-chloro-2-cyclopropylpropyl)-5-methylthiophene?
The canonical SMILES for 3-bromo-2-(1-chloro-2-cyclopropylpropyl)-5-methylthiophene is Cc1cc(Br)c(C(Cl)C(C)C2CC2)s1.
What is the InChIKey of 3-bromo-2-(1-chloro-2-cyclopropylpropyl)-5-methylthiophene?
The InChIKey is GFEJSDUXNVFIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClS/c1-6-5-9(12)11(14-6)10(13)7(2)8-3-4-8/h5,7-8,10H,3-4H2,1-2H3.
What are the key properties of 3-bromo-2-(1-chloro-2-cyclopropylpropyl)-5-methylthiophene?
3-bromo-2-(1-chloro-2-cyclopropylpropyl)-5-methylthiophene has a molecular weight of 293.66 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(1-chloro-2-cyclopropylpropyl)-5-methylthiophene is sourced from PubChem (CID 83148973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).