1,1,2,3-tetrabromopropane

C3H4Br4 — CID 13454490

IUPAC1,1,2,3-tetrabromopropane
SMILESBrCC(Br)C(Br)Br
InChIInChI=1S/C3H4Br4/c4-1-2(5)3(6)7/h2-3H,1H2
InChIKeyFCMPIAVBSFMMDT-UHFFFAOYSA-N
MW359.68 g/mol
LogP3.26
Rot. Bonds2

About 1,1,2,3-tetrabromopropane

1,1,2,3-tetrabromopropane (PubChem CID 13454490) has the molecular formula C3H4Br4 and a molecular weight of 359.68 g/mol. Its IUPAC name is 1,1,2,3-tetrabromopropane.

Molecular Properties

Compound Name1,1,2,3-tetrabromopropane
PubChem CID13454490
Molecular FormulaC3H4Br4
Molecular Weight359.68 g/mol
Exact Mass355.70
IUPAC Name1,1,2,3-tetrabromopropane
SMILESBrCC(Br)C(Br)Br
InChIInChI=1S/C3H4Br4/c4-1-2(5)3(6)7/h2-3H,1H2
InChIKeyFCMPIAVBSFMMDT-UHFFFAOYSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.68
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1,1,2,3-tetrabromopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3-tetrabromopropane?
The IUPAC name of 1,1,2,3-tetrabromopropane (CID 13454490) is 1,1,2,3-tetrabromopropane.
What is the SMILES notation for 1,1,2,3-tetrabromopropane?
The canonical SMILES for 1,1,2,3-tetrabromopropane is BrCC(Br)C(Br)Br.
What is the InChIKey of 1,1,2,3-tetrabromopropane?
The InChIKey is FCMPIAVBSFMMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Br4/c4-1-2(5)3(6)7/h2-3H,1H2.
What are the key properties of 1,1,2,3-tetrabromopropane?
1,1,2,3-tetrabromopropane has a molecular weight of 359.68 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3-tetrabromopropane is sourced from PubChem (CID 13454490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).