2-(bromomethyl)-5-(2-chlorophenyl)thiophene

C11H8BrClS — CID 67396627

IUPAC2-(bromomethyl)-5-(2-chlorophenyl)thiophene
SMILESClc1ccccc1-c1ccc(CBr)s1
InChIInChI=1S/C11H8BrClS/c12-7-8-5-6-11(14-8)9-3-1-2-4-10(9)13/h1-6H,7H2
InChIKeyYBMMNZWJQYLPLK-UHFFFAOYSA-N
MW287.61 g/mol
LogP4.96
Rot. Bonds2

About 2-(bromomethyl)-5-(2-chlorophenyl)thiophene

2-(bromomethyl)-5-(2-chlorophenyl)thiophene (PubChem CID 67396627) has the molecular formula C11H8BrClS and a molecular weight of 287.61 g/mol. Its IUPAC name is 2-(bromomethyl)-5-(2-chlorophenyl)thiophene.

Molecular Properties

Compound Name2-(bromomethyl)-5-(2-chlorophenyl)thiophene
PubChem CID67396627
Molecular FormulaC11H8BrClS
Molecular Weight287.61 g/mol
Exact Mass285.92
IUPAC Name2-(bromomethyl)-5-(2-chlorophenyl)thiophene
SMILESClc1ccccc1-c1ccc(CBr)s1
InChIInChI=1S/C11H8BrClS/c12-7-8-5-6-11(14-8)9-3-1-2-4-10(9)13/h1-6H,7H2
InChIKeyYBMMNZWJQYLPLK-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.61
LogP ≤ 54.96
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-(bromomethyl)-5-(2-chlorophenyl)thiophene?
The IUPAC name of 2-(bromomethyl)-5-(2-chlorophenyl)thiophene (CID 67396627) is 2-(bromomethyl)-5-(2-chlorophenyl)thiophene.
What is the SMILES notation for 2-(bromomethyl)-5-(2-chlorophenyl)thiophene?
The canonical SMILES for 2-(bromomethyl)-5-(2-chlorophenyl)thiophene is Clc1ccccc1-c1ccc(CBr)s1.
What is the InChIKey of 2-(bromomethyl)-5-(2-chlorophenyl)thiophene?
The InChIKey is YBMMNZWJQYLPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClS/c12-7-8-5-6-11(14-8)9-3-1-2-4-10(9)13/h1-6H,7H2.
What are the key properties of 2-(bromomethyl)-5-(2-chlorophenyl)thiophene?
2-(bromomethyl)-5-(2-chlorophenyl)thiophene has a molecular weight of 287.61 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-(2-chlorophenyl)thiophene is sourced from PubChem (CID 67396627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).