2,3-dibromopropoxy(2,3-dibromopropyl)phosphinic acid

C6H11Br4O3P — CID 88814489

IUPAC2,3-dibromopropoxy(2,3-dibromopropyl)phosphinic acid
SMILESO=P(O)(CC(Br)CBr)OCC(Br)CBr
InChIInChI=1S/C6H11Br4O3P/c7-1-5(9)3-13-14(11,12)4-6(10)2-8/h5-6H,1-4H2,(H,11,12)
InChIKeyDSRILRXGGOEJII-UHFFFAOYSA-N
MW481.74 g/mol
LogP3.51
Rot. Bonds7

About 2,3-dibromopropoxy(2,3-dibromopropyl)phosphinic acid

2,3-dibromopropoxy(2,3-dibromopropyl)phosphinic acid (PubChem CID 88814489) has the molecular formula C6H11Br4O3P and a molecular weight of 481.74 g/mol. Its IUPAC name is 2,3-dibromopropoxy(2,3-dibromopropyl)phosphinic acid.

Molecular Properties

Compound Name2,3-dibromopropoxy(2,3-dibromopropyl)phosphinic acid
PubChem CID88814489
Molecular FormulaC6H11Br4O3P
Molecular Weight481.74 g/mol
Exact Mass477.72
IUPAC Name2,3-dibromopropoxy(2,3-dibromopropyl)phosphinic acid
SMILESO=P(O)(CC(Br)CBr)OCC(Br)CBr
InChIInChI=1S/C6H11Br4O3P/c7-1-5(9)3-13-14(11,12)4-6(10)2-8/h5-6H,1-4H2,(H,11,12)
InChIKeyDSRILRXGGOEJII-UHFFFAOYSA-N
XLogP3.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.74
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 131878530
CID 131878530
tris[(2R)-2,3-dibromopropyl] phosphate
CID 76964191
bis[(2R)-2,3-dibromopropyl] [(2S)-2,3-dibromopropyl] phosphate
CID 76964192
[(2R)-2,3-dibromopropyl] bis[(2S)-2,3-dibromopropyl] phosphate
CID 25021510
sodium 2,3-dibromopropyl hydrogen phosphate
CID 23705153
magnesium 2,3-dibromopropyl hydrogen phosphate
CID 21124047
1,2-dibromo-3-[1,2-dibromoethyl(2,3-dibromopropoxy)phosphoryl]oxypropane
CID 54507285
azane;2,3-dibromopropyl propan-2-yl hydrogen phosphate
CID 173449510
2-[2,3-dibromopropyl(2-hydroxyethoxy)phosphoryl]oxyethanol
CID 23343610
4-[2-[2,3-dibromopropoxy(2,3-dibromopropyl)phosphoryl]oxyethyl]phenol
CID 88795400
bis(2,3-dibromopropyl) 2-phenoxyethyl phosphate
CID 154107096
2,3-dibromopropyl carbamate
CID 541684

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromopropoxy(2,3-dibromopropyl)phosphinic acid?
The IUPAC name of 2,3-dibromopropoxy(2,3-dibromopropyl)phosphinic acid (CID 88814489) is 2,3-dibromopropoxy(2,3-dibromopropyl)phosphinic acid.
What is the SMILES notation for 2,3-dibromopropoxy(2,3-dibromopropyl)phosphinic acid?
The canonical SMILES for 2,3-dibromopropoxy(2,3-dibromopropyl)phosphinic acid is O=P(O)(CC(Br)CBr)OCC(Br)CBr.
What is the InChIKey of 2,3-dibromopropoxy(2,3-dibromopropyl)phosphinic acid?
The InChIKey is DSRILRXGGOEJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Br4O3P/c7-1-5(9)3-13-14(11,12)4-6(10)2-8/h5-6H,1-4H2,(H,11,12).
What are the key properties of 2,3-dibromopropoxy(2,3-dibromopropyl)phosphinic acid?
2,3-dibromopropoxy(2,3-dibromopropyl)phosphinic acid has a molecular weight of 481.74 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromopropoxy(2,3-dibromopropyl)phosphinic acid is sourced from PubChem (CID 88814489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).