[2-(3-bromo-3-cyclopropylpropyl)cyclopropyl]benzene

C15H19Br — CID 116518364

IUPAC[2-(3-bromo-3-cyclopropylpropyl)cyclopropyl]benzene
SMILESBrC(CCC1CC1c1ccccc1)C1CC1
InChIInChI=1S/C15H19Br/c16-15(12-6-7-12)9-8-13-10-14(13)11-4-2-1-3-5-11/h1-5,12-15H,6-10H2
InChIKeyLEEMBIHBZYLPGQ-UHFFFAOYSA-N
MW279.22 g/mol
LogP4.74
Rot. Bonds5

About [2-(3-bromo-3-cyclopropylpropyl)cyclopropyl]benzene

[2-(3-bromo-3-cyclopropylpropyl)cyclopropyl]benzene (PubChem CID 116518364) has the molecular formula C15H19Br and a molecular weight of 279.22 g/mol. Its IUPAC name is [2-(3-bromo-3-cyclopropylpropyl)cyclopropyl]benzene.

Molecular Properties

Compound Name[2-(3-bromo-3-cyclopropylpropyl)cyclopropyl]benzene
PubChem CID116518364
Molecular FormulaC15H19Br
Molecular Weight279.22 g/mol
Exact Mass278.07
IUPAC Name[2-(3-bromo-3-cyclopropylpropyl)cyclopropyl]benzene
SMILESBrC(CCC1CC1c1ccccc1)C1CC1
InChIInChI=1S/C15H19Br/c16-15(12-6-7-12)9-8-13-10-14(13)11-4-2-1-3-5-11/h1-5,12-15H,6-10H2
InChIKeyLEEMBIHBZYLPGQ-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 54.74
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-(3-bromo-3-cyclopropylpropyl)cyclopropyl]benzene?
The IUPAC name of [2-(3-bromo-3-cyclopropylpropyl)cyclopropyl]benzene (CID 116518364) is [2-(3-bromo-3-cyclopropylpropyl)cyclopropyl]benzene.
What is the SMILES notation for [2-(3-bromo-3-cyclopropylpropyl)cyclopropyl]benzene?
The canonical SMILES for [2-(3-bromo-3-cyclopropylpropyl)cyclopropyl]benzene is BrC(CCC1CC1c1ccccc1)C1CC1.
What is the InChIKey of [2-(3-bromo-3-cyclopropylpropyl)cyclopropyl]benzene?
The InChIKey is LEEMBIHBZYLPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br/c16-15(12-6-7-12)9-8-13-10-14(13)11-4-2-1-3-5-11/h1-5,12-15H,6-10H2.
What are the key properties of [2-(3-bromo-3-cyclopropylpropyl)cyclopropyl]benzene?
[2-(3-bromo-3-cyclopropylpropyl)cyclopropyl]benzene has a molecular weight of 279.22 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-3-cyclopropylpropyl)cyclopropyl]benzene is sourced from PubChem (CID 116518364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).