2-bromo-1,1-dicyclopropylcyclopropane

C9H13Br — CID 12542072

IUPAC2-bromo-1,1-dicyclopropylcyclopropane
SMILESBrC1CC1(C1CC1)C1CC1
InChIInChI=1S/C9H13Br/c10-8-5-9(8,6-1-2-6)7-3-4-7/h6-8H,1-5H2
InChIKeyHGUAXQQWEIHUQS-UHFFFAOYSA-N
MW201.11 g/mol
LogP2.96
Rot. Bonds2

About 2-bromo-1,1-dicyclopropylcyclopropane

2-bromo-1,1-dicyclopropylcyclopropane (PubChem CID 12542072) has the molecular formula C9H13Br and a molecular weight of 201.11 g/mol. Its IUPAC name is 2-bromo-1,1-dicyclopropylcyclopropane.

Molecular Properties

Compound Name2-bromo-1,1-dicyclopropylcyclopropane
PubChem CID12542072
Molecular FormulaC9H13Br
Molecular Weight201.11 g/mol
Exact Mass200.02
IUPAC Name2-bromo-1,1-dicyclopropylcyclopropane
SMILESBrC1CC1(C1CC1)C1CC1
InChIInChI=1S/C9H13Br/c10-8-5-9(8,6-1-2-6)7-3-4-7/h6-8H,1-5H2
InChIKeyHGUAXQQWEIHUQS-UHFFFAOYSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.11
LogP ≤ 52.96
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-1,1-dicyclopropylcyclopropane?
The IUPAC name of 2-bromo-1,1-dicyclopropylcyclopropane (CID 12542072) is 2-bromo-1,1-dicyclopropylcyclopropane.
What is the SMILES notation for 2-bromo-1,1-dicyclopropylcyclopropane?
The canonical SMILES for 2-bromo-1,1-dicyclopropylcyclopropane is BrC1CC1(C1CC1)C1CC1.
What is the InChIKey of 2-bromo-1,1-dicyclopropylcyclopropane?
The InChIKey is HGUAXQQWEIHUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Br/c10-8-5-9(8,6-1-2-6)7-3-4-7/h6-8H,1-5H2.
What are the key properties of 2-bromo-1,1-dicyclopropylcyclopropane?
2-bromo-1,1-dicyclopropylcyclopropane has a molecular weight of 201.11 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,1-dicyclopropylcyclopropane is sourced from PubChem (CID 12542072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).