2-bromo-2-(bromomethyl)spiro[2.2]pentane

C6H8Br2 — CID 10999114

IUPAC2-bromo-2-(bromomethyl)spiro[2.2]pentane
SMILESBrCC1(Br)CC12CC2
InChIInChI=1S/C6H8Br2/c7-4-6(8)3-5(6)1-2-5/h1-4H2
InChIKeyBBOAAMSOEJNMRX-UHFFFAOYSA-N
MW239.94 g/mol
LogP2.70
Rot. Bonds1

About 2-bromo-2-(bromomethyl)spiro[2.2]pentane

2-bromo-2-(bromomethyl)spiro[2.2]pentane (PubChem CID 10999114) has the molecular formula C6H8Br2 and a molecular weight of 239.94 g/mol. Its IUPAC name is 2-bromo-2-(bromomethyl)spiro[2.2]pentane.

Molecular Properties

Compound Name2-bromo-2-(bromomethyl)spiro[2.2]pentane
PubChem CID10999114
Molecular FormulaC6H8Br2
Molecular Weight239.94 g/mol
Exact Mass237.90
IUPAC Name2-bromo-2-(bromomethyl)spiro[2.2]pentane
SMILESBrCC1(Br)CC12CC2
InChIInChI=1S/C6H8Br2/c7-4-6(8)3-5(6)1-2-5/h1-4H2
InChIKeyBBOAAMSOEJNMRX-UHFFFAOYSA-N
XLogP2.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.94
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-bromo-2-(bromomethyl)spiro[2.2]pentane?
The IUPAC name of 2-bromo-2-(bromomethyl)spiro[2.2]pentane (CID 10999114) is 2-bromo-2-(bromomethyl)spiro[2.2]pentane.
What is the SMILES notation for 2-bromo-2-(bromomethyl)spiro[2.2]pentane?
The canonical SMILES for 2-bromo-2-(bromomethyl)spiro[2.2]pentane is BrCC1(Br)CC12CC2.
What is the InChIKey of 2-bromo-2-(bromomethyl)spiro[2.2]pentane?
The InChIKey is BBOAAMSOEJNMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Br2/c7-4-6(8)3-5(6)1-2-5/h1-4H2.
What are the key properties of 2-bromo-2-(bromomethyl)spiro[2.2]pentane?
2-bromo-2-(bromomethyl)spiro[2.2]pentane has a molecular weight of 239.94 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(bromomethyl)spiro[2.2]pentane is sourced from PubChem (CID 10999114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).