2,3-dibromopropylphosphane

C3H7Br2P — CID 150365341

IUPAC2,3-dibromopropylphosphane
SMILESPCC(Br)CBr
InChIInChI=1S/C3H7Br2P/c4-1-3(5)2-6/h3H,1-2,6H2
InChIKeyYTXKTCHDQOHXDG-UHFFFAOYSA-N
MW233.87 g/mol
LogP2.02
Rot. Bonds2

About 2,3-dibromopropylphosphane

2,3-dibromopropylphosphane (PubChem CID 150365341) has the molecular formula C3H7Br2P and a molecular weight of 233.87 g/mol. Its IUPAC name is 2,3-dibromopropylphosphane.

Molecular Properties

Compound Name2,3-dibromopropylphosphane
PubChem CID150365341
Molecular FormulaC3H7Br2P
Molecular Weight233.87 g/mol
Exact Mass231.87
IUPAC Name2,3-dibromopropylphosphane
SMILESPCC(Br)CBr
InChIInChI=1S/C3H7Br2P/c4-1-3(5)2-6/h3H,1-2,6H2
InChIKeyYTXKTCHDQOHXDG-UHFFFAOYSA-N
XLogP2.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.87
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibromopropylphosphane?
The IUPAC name of 2,3-dibromopropylphosphane (CID 150365341) is 2,3-dibromopropylphosphane.
What is the SMILES notation for 2,3-dibromopropylphosphane?
The canonical SMILES for 2,3-dibromopropylphosphane is PCC(Br)CBr.
What is the InChIKey of 2,3-dibromopropylphosphane?
The InChIKey is YTXKTCHDQOHXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7Br2P/c4-1-3(5)2-6/h3H,1-2,6H2.
What are the key properties of 2,3-dibromopropylphosphane?
2,3-dibromopropylphosphane has a molecular weight of 233.87 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromopropylphosphane is sourced from PubChem (CID 150365341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).