(2-bromo-1-cyclopropylethyl)cyclopropane

C8H13Br — CID 10726306

IUPAC(2-bromo-1-cyclopropylethyl)cyclopropane
SMILESBrCC(C1CC1)C1CC1
InChIInChI=1S/C8H13Br/c9-5-8(6-1-2-6)7-3-4-7/h6-8H,1-5H2
InChIKeyBOZVREDEAUUBKU-UHFFFAOYSA-N
MW189.10 g/mol
LogP2.82
Rot. Bonds3

About (2-bromo-1-cyclopropylethyl)cyclopropane

(2-bromo-1-cyclopropylethyl)cyclopropane (PubChem CID 10726306) has the molecular formula C8H13Br and a molecular weight of 189.10 g/mol. Its IUPAC name is (2-bromo-1-cyclopropylethyl)cyclopropane.

Molecular Properties

Compound Name(2-bromo-1-cyclopropylethyl)cyclopropane
PubChem CID10726306
Molecular FormulaC8H13Br
Molecular Weight189.10 g/mol
Exact Mass188.02
IUPAC Name(2-bromo-1-cyclopropylethyl)cyclopropane
SMILESBrCC(C1CC1)C1CC1
InChIInChI=1S/C8H13Br/c9-5-8(6-1-2-6)7-3-4-7/h6-8H,1-5H2
InChIKeyBOZVREDEAUUBKU-UHFFFAOYSA-N
XLogP2.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.10
LogP ≤ 52.82
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-cyclopropylethyl)cyclopropane?
The IUPAC name of (2-bromo-1-cyclopropylethyl)cyclopropane (CID 10726306) is (2-bromo-1-cyclopropylethyl)cyclopropane.
What is the SMILES notation for (2-bromo-1-cyclopropylethyl)cyclopropane?
The canonical SMILES for (2-bromo-1-cyclopropylethyl)cyclopropane is BrCC(C1CC1)C1CC1.
What is the InChIKey of (2-bromo-1-cyclopropylethyl)cyclopropane?
The InChIKey is BOZVREDEAUUBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Br/c9-5-8(6-1-2-6)7-3-4-7/h6-8H,1-5H2.
What are the key properties of (2-bromo-1-cyclopropylethyl)cyclopropane?
(2-bromo-1-cyclopropylethyl)cyclopropane has a molecular weight of 189.10 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-1-cyclopropylethyl)cyclopropane is sourced from PubChem (CID 10726306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).