1,3-dibromo-1-chloropropane

C3H5Br2Cl — CID 12669916

IUPAC1,3-dibromo-1-chloropropane
SMILESClC(Br)CCBr
InChIInChI=1S/C3H5Br2Cl/c4-2-1-3(5)6/h3H,1-2H2
InChIKeyFZUMCPCPZTWIHX-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.73
Rot. Bonds2

About 1,3-dibromo-1-chloropropane

1,3-dibromo-1-chloropropane (PubChem CID 12669916) has the molecular formula C3H5Br2Cl and a molecular weight of 236.33 g/mol. Its IUPAC name is 1,3-dibromo-1-chloropropane.

Molecular Properties

Compound Name1,3-dibromo-1-chloropropane
PubChem CID12669916
Molecular FormulaC3H5Br2Cl
Molecular Weight236.33 g/mol
Exact Mass233.84
IUPAC Name1,3-dibromo-1-chloropropane
SMILESClC(Br)CCBr
InChIInChI=1S/C3H5Br2Cl/c4-2-1-3(5)6/h3H,1-2H2
InChIKeyFZUMCPCPZTWIHX-UHFFFAOYSA-N
XLogP2.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.73
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-dibromo-1-chloropropane?
The IUPAC name of 1,3-dibromo-1-chloropropane (CID 12669916) is 1,3-dibromo-1-chloropropane.
What is the SMILES notation for 1,3-dibromo-1-chloropropane?
The canonical SMILES for 1,3-dibromo-1-chloropropane is ClC(Br)CCBr.
What is the InChIKey of 1,3-dibromo-1-chloropropane?
The InChIKey is FZUMCPCPZTWIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Br2Cl/c4-2-1-3(5)6/h3H,1-2H2.
What are the key properties of 1,3-dibromo-1-chloropropane?
1,3-dibromo-1-chloropropane has a molecular weight of 236.33 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-1-chloropropane is sourced from PubChem (CID 12669916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).