1,1-dibromo-2-propylcyclopropane

C6H10Br2 — CID 13198577

IUPAC1,1-dibromo-2-propylcyclopropane
SMILESCCCC1CC1(Br)Br
InChIInChI=1S/C6H10Br2/c1-2-3-5-4-6(5,7)8/h5H,2-4H2,1H3
InChIKeyFFWDSNYYPWHBEU-UHFFFAOYSA-N
MW241.95 g/mol
LogP3.29
Rot. Bonds2

About 1,1-dibromo-2-propylcyclopropane

1,1-dibromo-2-propylcyclopropane (PubChem CID 13198577) has the molecular formula C6H10Br2 and a molecular weight of 241.95 g/mol. Its IUPAC name is 1,1-dibromo-2-propylcyclopropane.

Molecular Properties

Compound Name1,1-dibromo-2-propylcyclopropane
PubChem CID13198577
Molecular FormulaC6H10Br2
Molecular Weight241.95 g/mol
Exact Mass239.91
IUPAC Name1,1-dibromo-2-propylcyclopropane
SMILESCCCC1CC1(Br)Br
InChIInChI=1S/C6H10Br2/c1-2-3-5-4-6(5,7)8/h5H,2-4H2,1H3
InChIKeyFFWDSNYYPWHBEU-UHFFFAOYSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.95
LogP ≤ 53.29
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 1,1-dibromo-2-propylcyclopropane?
The IUPAC name of 1,1-dibromo-2-propylcyclopropane (CID 13198577) is 1,1-dibromo-2-propylcyclopropane.
What is the SMILES notation for 1,1-dibromo-2-propylcyclopropane?
The canonical SMILES for 1,1-dibromo-2-propylcyclopropane is CCCC1CC1(Br)Br.
What is the InChIKey of 1,1-dibromo-2-propylcyclopropane?
The InChIKey is FFWDSNYYPWHBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Br2/c1-2-3-5-4-6(5,7)8/h5H,2-4H2,1H3.
What are the key properties of 1,1-dibromo-2-propylcyclopropane?
1,1-dibromo-2-propylcyclopropane has a molecular weight of 241.95 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-2-propylcyclopropane is sourced from PubChem (CID 13198577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).