1,3-dibromopropane

C3H6Br2 — CID 8001

IUPAC1,3-dibromopropane
SMILESBrCCCBr
InChIInChI=1S/C3H6Br2/c4-2-1-3-5/h1-3H2
InChIKeyVEFLKXRACNJHOV-UHFFFAOYSA-N
MW201.89 g/mol
LogP2.17
Rot. Bonds2

About 1,3-dibromopropane

1,3-dibromopropane (PubChem CID 8001) has the molecular formula C3H6Br2 and a molecular weight of 201.89 g/mol. Its IUPAC name is 1,3-dibromopropane.

Molecular Properties

Compound Name1,3-dibromopropane
PubChem CID8001
Molecular FormulaC3H6Br2
Molecular Weight201.89 g/mol
Exact Mass199.88
IUPAC Name1,3-dibromopropane
SMILESBrCCCBr
InChIInChI=1S/C3H6Br2/c4-2-1-3-5/h1-3H2
InChIKeyVEFLKXRACNJHOV-UHFFFAOYSA-N
XLogP2.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.89
LogP ≤ 52.17
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 1,3-dibromopropane?
The IUPAC name of 1,3-dibromopropane (CID 8001) is 1,3-dibromopropane.
What is the SMILES notation for 1,3-dibromopropane?
The canonical SMILES for 1,3-dibromopropane is BrCCCBr.
What is the InChIKey of 1,3-dibromopropane?
The InChIKey is VEFLKXRACNJHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6Br2/c4-2-1-3-5/h1-3H2.
What are the key properties of 1,3-dibromopropane?
1,3-dibromopropane has a molecular weight of 201.89 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromopropane is sourced from PubChem (CID 8001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).