2-(1-bromo-2-methylpropan-2-yl)thiophene

C8H11BrS — CID 83690309

IUPAC2-(1-bromo-2-methylpropan-2-yl)thiophene
SMILESCC(C)(CBr)c1cccs1
InChIInChI=1S/C8H11BrS/c1-8(2,6-9)7-4-3-5-10-7/h3-5H,6H2,1-2H3
InChIKeyJEVNSOVBQOQPKW-UHFFFAOYSA-N
MW219.15 g/mol
LogP3.42
Rot. Bonds2

About 2-(1-bromo-2-methylpropan-2-yl)thiophene

2-(1-bromo-2-methylpropan-2-yl)thiophene (PubChem CID 83690309) has the molecular formula C8H11BrS and a molecular weight of 219.15 g/mol. Its IUPAC name is 2-(1-bromo-2-methylpropan-2-yl)thiophene.

Molecular Properties

Compound Name2-(1-bromo-2-methylpropan-2-yl)thiophene
PubChem CID83690309
Molecular FormulaC8H11BrS
Molecular Weight219.15 g/mol
Exact Mass217.98
IUPAC Name2-(1-bromo-2-methylpropan-2-yl)thiophene
SMILESCC(C)(CBr)c1cccs1
InChIInChI=1S/C8H11BrS/c1-8(2,6-9)7-4-3-5-10-7/h3-5H,6H2,1-2H3
InChIKeyJEVNSOVBQOQPKW-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.15
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 78963918

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromo-2-methylpropan-2-yl)thiophene?
The IUPAC name of 2-(1-bromo-2-methylpropan-2-yl)thiophene (CID 83690309) is 2-(1-bromo-2-methylpropan-2-yl)thiophene.
What is the SMILES notation for 2-(1-bromo-2-methylpropan-2-yl)thiophene?
The canonical SMILES for 2-(1-bromo-2-methylpropan-2-yl)thiophene is CC(C)(CBr)c1cccs1.
What is the InChIKey of 2-(1-bromo-2-methylpropan-2-yl)thiophene?
The InChIKey is JEVNSOVBQOQPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrS/c1-8(2,6-9)7-4-3-5-10-7/h3-5H,6H2,1-2H3.
What are the key properties of 2-(1-bromo-2-methylpropan-2-yl)thiophene?
2-(1-bromo-2-methylpropan-2-yl)thiophene has a molecular weight of 219.15 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromo-2-methylpropan-2-yl)thiophene is sourced from PubChem (CID 83690309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).