1,2,3-tribromopropane

C3H5Br3 — CID 7279

IUPAC1,2,3-tribromopropane
SMILESBrCC(Br)CBr
InChIInChI=1S/C3H5Br3/c4-1-3(6)2-5/h3H,1-2H2
InChIKeyFHCLGDLYRUPKAM-UHFFFAOYSA-N
MW280.79 g/mol
LogP2.54
Rot. Bonds2

About 1,2,3-tribromopropane

1,2,3-tribromopropane (PubChem CID 7279) has the molecular formula C3H5Br3 and a molecular weight of 280.79 g/mol. Its IUPAC name is 1,2,3-tribromopropane.

Molecular Properties

Compound Name1,2,3-tribromopropane
PubChem CID7279
Molecular FormulaC3H5Br3
Molecular Weight280.79 g/mol
Exact Mass277.79
IUPAC Name1,2,3-tribromopropane
SMILESBrCC(Br)CBr
InChIInChI=1S/C3H5Br3/c4-1-3(6)2-5/h3H,1-2H2
InChIKeyFHCLGDLYRUPKAM-UHFFFAOYSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.79
LogP ≤ 52.54
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 1,2,3-tribromopropane?
The IUPAC name of 1,2,3-tribromopropane (CID 7279) is 1,2,3-tribromopropane.
What is the SMILES notation for 1,2,3-tribromopropane?
The canonical SMILES for 1,2,3-tribromopropane is BrCC(Br)CBr.
What is the InChIKey of 1,2,3-tribromopropane?
The InChIKey is FHCLGDLYRUPKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Br3/c4-1-3(6)2-5/h3H,1-2H2.
What are the key properties of 1,2,3-tribromopropane?
1,2,3-tribromopropane has a molecular weight of 280.79 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tribromopropane is sourced from PubChem (CID 7279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).