2-[chloro-(1,1-dibromo-2,2-dimethylpropoxy)phosphoryl]oxyethanol

C7H14Br2ClO4P — CID 87548752

IUPAC2-[chloro-(1,1-dibromo-2,2-dimethylpropoxy)phosphoryl]oxyethanol
SMILESCC(C)(C)C(Br)(Br)OP(=O)(Cl)OCCO
InChIInChI=1S/C7H14Br2ClO4P/c1-6(2,3)7(8,9)14-15(10,12)13-5-4-11/h11H,4-5H2,1-3H3
InChIKeyZOVBOTNZKNCEQG-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.85
Rot. Bonds5

About 2-[chloro-(1,1-dibromo-2,2-dimethylpropoxy)phosphoryl]oxyethanol

2-[chloro-(1,1-dibromo-2,2-dimethylpropoxy)phosphoryl]oxyethanol (PubChem CID 87548752) has the molecular formula C7H14Br2ClO4P and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-[chloro-(1,1-dibromo-2,2-dimethylpropoxy)phosphoryl]oxyethanol.

Molecular Properties

Compound Name2-[chloro-(1,1-dibromo-2,2-dimethylpropoxy)phosphoryl]oxyethanol
PubChem CID87548752
Molecular FormulaC7H14Br2ClO4P
Molecular Weight388.42 g/mol
Exact Mass385.87
IUPAC Name2-[chloro-(1,1-dibromo-2,2-dimethylpropoxy)phosphoryl]oxyethanol
SMILESCC(C)(C)C(Br)(Br)OP(=O)(Cl)OCCO
InChIInChI=1S/C7H14Br2ClO4P/c1-6(2,3)7(8,9)14-15(10,12)13-5-4-11/h11H,4-5H2,1-3H3
InChIKeyZOVBOTNZKNCEQG-UHFFFAOYSA-N
XLogP3.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[chloro-(1,1-dibromo-2,2-dimethylpropoxy)phosphoryl]oxyethanol?
The IUPAC name of 2-[chloro-(1,1-dibromo-2,2-dimethylpropoxy)phosphoryl]oxyethanol (CID 87548752) is 2-[chloro-(1,1-dibromo-2,2-dimethylpropoxy)phosphoryl]oxyethanol.
What is the SMILES notation for 2-[chloro-(1,1-dibromo-2,2-dimethylpropoxy)phosphoryl]oxyethanol?
The canonical SMILES for 2-[chloro-(1,1-dibromo-2,2-dimethylpropoxy)phosphoryl]oxyethanol is CC(C)(C)C(Br)(Br)OP(=O)(Cl)OCCO.
What is the InChIKey of 2-[chloro-(1,1-dibromo-2,2-dimethylpropoxy)phosphoryl]oxyethanol?
The InChIKey is ZOVBOTNZKNCEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14Br2ClO4P/c1-6(2,3)7(8,9)14-15(10,12)13-5-4-11/h11H,4-5H2,1-3H3.
What are the key properties of 2-[chloro-(1,1-dibromo-2,2-dimethylpropoxy)phosphoryl]oxyethanol?
2-[chloro-(1,1-dibromo-2,2-dimethylpropoxy)phosphoryl]oxyethanol has a molecular weight of 388.42 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(1,1-dibromo-2,2-dimethylpropoxy)phosphoryl]oxyethanol is sourced from PubChem (CID 87548752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).