chloro-(1,1-dibromo-3-hydroxy-2,2-dimethylpropoxy)phosphinic acid

C5H10Br2ClO4P — CID 87546822

IUPACchloro-(1,1-dibromo-3-hydroxy-2,2-dimethylpropoxy)phosphinic acid
SMILESCC(C)(CO)C(Br)(Br)OP(=O)(O)Cl
InChIInChI=1S/C5H10Br2ClO4P/c1-4(2,3-9)5(6,7)12-13(8,10)11/h9H,3H2,1-2H3,(H,10,11)
InChIKeyPJGNEVOZXOFHRA-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.80
Rot. Bonds4

About chloro-(1,1-dibromo-3-hydroxy-2,2-dimethylpropoxy)phosphinic acid

chloro-(1,1-dibromo-3-hydroxy-2,2-dimethylpropoxy)phosphinic acid (PubChem CID 87546822) has the molecular formula C5H10Br2ClO4P and a molecular weight of 360.37 g/mol. Its IUPAC name is chloro-(1,1-dibromo-3-hydroxy-2,2-dimethylpropoxy)phosphinic acid.

Molecular Properties

Compound Namechloro-(1,1-dibromo-3-hydroxy-2,2-dimethylpropoxy)phosphinic acid
PubChem CID87546822
Molecular FormulaC5H10Br2ClO4P
Molecular Weight360.37 g/mol
Exact Mass357.84
IUPAC Namechloro-(1,1-dibromo-3-hydroxy-2,2-dimethylpropoxy)phosphinic acid
SMILESCC(C)(CO)C(Br)(Br)OP(=O)(O)Cl
InChIInChI=1S/C5H10Br2ClO4P/c1-4(2,3-9)5(6,7)12-13(8,10)11/h9H,3H2,1-2H3,(H,10,11)
InChIKeyPJGNEVOZXOFHRA-UHFFFAOYSA-N
XLogP2.80
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Bis(2,2-di(bromomethyl)-3-hydroxypropyl) butyl phosphate
CID 3029990
2,2-Bis(bromomethyl)propane-1,3-diol;phosphoric acid
CID 71327381
[2,2-Bis(bromomethyl)-3-hydroxypropyl] dihydrogen phosphate
CID 13023285
[2-(Bromomethyl)-3-hydroxy-2-(hydroxymethyl)propyl] diethyl phosphate
CID 20300457
Chloro-(3-hydroxy-2,2-dimethylpropoxy)phosphinic acid
CID 22996586
(1,1-Dibromo-3-hydroxy-2,2-dimethylpropyl) dihydrogen phosphate
CID 87451937
Chloro-(1,1-dibromo-2,2-dimethylpropoxy)phosphinic acid;ethane-1,2-diol
CID 87548751
2-[Chloro-(1,1-dibromo-2,2-dimethylpropoxy)phosphoryl]oxyethanol
CID 87548752
(1-Bromo-3-hydroxy-2,2-dimethylpropyl) hypobromite;chlorophosphonic acid
CID 87548753
[3-Bromo-2-(bromomethyl)-2-methylpropyl] chloro hydrogen phosphate
CID 88669574
[2-(Bromomethyl)-3-hydroxy-2-(hydroxymethyl)propyl] dihydrogen phosphate
CID 88734043
1,1-Dibromo-2,2-dimethylpropane-1,3-diol;phosphoric acid
CID 88734249

Frequently Asked Questions

What is the IUPAC name of chloro-(1,1-dibromo-3-hydroxy-2,2-dimethylpropoxy)phosphinic acid?
The IUPAC name of chloro-(1,1-dibromo-3-hydroxy-2,2-dimethylpropoxy)phosphinic acid (CID 87546822) is chloro-(1,1-dibromo-3-hydroxy-2,2-dimethylpropoxy)phosphinic acid.
What is the SMILES notation for chloro-(1,1-dibromo-3-hydroxy-2,2-dimethylpropoxy)phosphinic acid?
The canonical SMILES for chloro-(1,1-dibromo-3-hydroxy-2,2-dimethylpropoxy)phosphinic acid is CC(C)(CO)C(Br)(Br)OP(=O)(O)Cl.
What is the InChIKey of chloro-(1,1-dibromo-3-hydroxy-2,2-dimethylpropoxy)phosphinic acid?
The InChIKey is PJGNEVOZXOFHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10Br2ClO4P/c1-4(2,3-9)5(6,7)12-13(8,10)11/h9H,3H2,1-2H3,(H,10,11).
What are the key properties of chloro-(1,1-dibromo-3-hydroxy-2,2-dimethylpropoxy)phosphinic acid?
chloro-(1,1-dibromo-3-hydroxy-2,2-dimethylpropoxy)phosphinic acid has a molecular weight of 360.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(1,1-dibromo-3-hydroxy-2,2-dimethylpropoxy)phosphinic acid is sourced from PubChem (CID 87546822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).