1,1,2,2-tetrabromopropane

C3H4Br4 — CID 13454489

IUPAC1,1,2,2-tetrabromopropane
SMILESCC(Br)(Br)C(Br)Br
InChIInChI=1S/C3H4Br4/c1-3(6,7)2(4)5/h2H,1H3
InChIKeyJXKZURFTWZXOOD-UHFFFAOYSA-N
MW359.68 g/mol
LogP3.61
Rot. Bonds1

About 1,1,2,2-tetrabromopropane

1,1,2,2-tetrabromopropane (PubChem CID 13454489) has the molecular formula C3H4Br4 and a molecular weight of 359.68 g/mol. Its IUPAC name is 1,1,2,2-tetrabromopropane.

Molecular Properties

Compound Name1,1,2,2-tetrabromopropane
PubChem CID13454489
Molecular FormulaC3H4Br4
Molecular Weight359.68 g/mol
Exact Mass355.70
IUPAC Name1,1,2,2-tetrabromopropane
SMILESCC(Br)(Br)C(Br)Br
InChIInChI=1S/C3H4Br4/c1-3(6,7)2(4)5/h2H,1H3
InChIKeyJXKZURFTWZXOOD-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.68
LogP ≤ 53.61
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 1,1,2,2-tetrabromopropane?
The IUPAC name of 1,1,2,2-tetrabromopropane (CID 13454489) is 1,1,2,2-tetrabromopropane.
What is the SMILES notation for 1,1,2,2-tetrabromopropane?
The canonical SMILES for 1,1,2,2-tetrabromopropane is CC(Br)(Br)C(Br)Br.
What is the InChIKey of 1,1,2,2-tetrabromopropane?
The InChIKey is JXKZURFTWZXOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Br4/c1-3(6,7)2(4)5/h2H,1H3.
What are the key properties of 1,1,2,2-tetrabromopropane?
1,1,2,2-tetrabromopropane has a molecular weight of 359.68 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrabromopropane is sourced from PubChem (CID 13454489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).