1-bromo-2-[2-bromoethyl(chloro)phosphoryl]ethane

C4H8Br2ClOP — CID 141346729

IUPAC1-bromo-2-[2-bromoethyl(chloro)phosphoryl]ethane
SMILESO=P(Cl)(CCBr)CCBr
InChIInChI=1S/C4H8Br2ClOP/c5-1-3-9(7,8)4-2-6/h1-4H2
InChIKeyJSJROZYBCYIHOI-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.29
Rot. Bonds4

About 1-bromo-2-[2-bromoethyl(chloro)phosphoryl]ethane

1-bromo-2-[2-bromoethyl(chloro)phosphoryl]ethane (PubChem CID 141346729) has the molecular formula C4H8Br2ClOP and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-bromo-2-[2-bromoethyl(chloro)phosphoryl]ethane.

Molecular Properties

Compound Name1-bromo-2-[2-bromoethyl(chloro)phosphoryl]ethane
PubChem CID141346729
Molecular FormulaC4H8Br2ClOP
Molecular Weight298.34 g/mol
Exact Mass295.84
IUPAC Name1-bromo-2-[2-bromoethyl(chloro)phosphoryl]ethane
SMILESO=P(Cl)(CCBr)CCBr
InChIInChI=1S/C4H8Br2ClOP/c5-1-3-9(7,8)4-2-6/h1-4H2
InChIKeyJSJROZYBCYIHOI-UHFFFAOYSA-N
XLogP3.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-bromo-2-[2-bromoethyl(chloro)phosphoryl]ethane?
The IUPAC name of 1-bromo-2-[2-bromoethyl(chloro)phosphoryl]ethane (CID 141346729) is 1-bromo-2-[2-bromoethyl(chloro)phosphoryl]ethane.
What is the SMILES notation for 1-bromo-2-[2-bromoethyl(chloro)phosphoryl]ethane?
The canonical SMILES for 1-bromo-2-[2-bromoethyl(chloro)phosphoryl]ethane is O=P(Cl)(CCBr)CCBr.
What is the InChIKey of 1-bromo-2-[2-bromoethyl(chloro)phosphoryl]ethane?
The InChIKey is JSJROZYBCYIHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Br2ClOP/c5-1-3-9(7,8)4-2-6/h1-4H2.
What are the key properties of 1-bromo-2-[2-bromoethyl(chloro)phosphoryl]ethane?
1-bromo-2-[2-bromoethyl(chloro)phosphoryl]ethane has a molecular weight of 298.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[2-bromoethyl(chloro)phosphoryl]ethane is sourced from PubChem (CID 141346729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).