(1,2-dibromo-2,2-dichloroethyl) diethyl phosphate

C6H11Br2Cl2O4P — CID 21398776

IUPAC(1,2-dibromo-2,2-dichloroethyl) diethyl phosphate
SMILESCCOP(=O)(OCC)OC(Br)C(Cl)(Cl)Br
InChIInChI=1S/C6H11Br2Cl2O4P/c1-3-12-15(11,13-4-2)14-5(7)6(8,9)10/h5H,3-4H2,1-2H3
InChIKeyPFPPRAJHLOVHDZ-UHFFFAOYSA-N
MW408.84 g/mol
LogP4.43
Rot. Bonds7

About (1,2-dibromo-2,2-dichloroethyl) diethyl phosphate

(1,2-dibromo-2,2-dichloroethyl) diethyl phosphate (PubChem CID 21398776) has the molecular formula C6H11Br2Cl2O4P and a molecular weight of 408.84 g/mol. Its IUPAC name is (1,2-dibromo-2,2-dichloroethyl) diethyl phosphate.

Molecular Properties

Compound Name(1,2-dibromo-2,2-dichloroethyl) diethyl phosphate
PubChem CID21398776
Molecular FormulaC6H11Br2Cl2O4P
Molecular Weight408.84 g/mol
Exact Mass405.81
IUPAC Name(1,2-dibromo-2,2-dichloroethyl) diethyl phosphate
SMILESCCOP(=O)(OCC)OC(Br)C(Cl)(Cl)Br
InChIInChI=1S/C6H11Br2Cl2O4P/c1-3-12-15(11,13-4-2)14-5(7)6(8,9)10/h5H,3-4H2,1-2H3
InChIKeyPFPPRAJHLOVHDZ-UHFFFAOYSA-N
XLogP4.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.84
LogP ≤ 54.43
H-Bond Donors ≤ 50
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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Related Compounds

(1,2-dibromo-2,2-dichloroethyl) dimethyl phosphate
CID 23447083
[diethoxyphosphoryloxy(fluoro)methyl] diethyl phosphate
CID 172720622
2,2-dimethyl-3-(2,2,2-tribromo-1-diethoxyphosphoryloxyethyl)cyclopropane-1-carboxylic acid
CID 19796895
diethyl 1-fluoropropyl phosphate
CID 174844382
(1-diethoxyphosphoryl-2,2,2-trifluoroethyl) diethyl phosphate
CID 13026280
ethyl bis(1,1,2-trichloroethyl) phosphate
CID 139654084
diethoxyphosphoryl 2,2-dimethylpropanoate
CID 131858368
acetic acid;triethyl phosphate
CID 161446956
diethoxy ethyl phosphate
CID 22136775
diethyl [(1S)-1-phenylethyl] phosphate
CID 10945101
hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate)
CID 139152951
sulfur trioxide;triethyl phosphate
CID 86745268

Frequently Asked Questions

What is the IUPAC name of (1,2-dibromo-2,2-dichloroethyl) diethyl phosphate?
The IUPAC name of (1,2-dibromo-2,2-dichloroethyl) diethyl phosphate (CID 21398776) is (1,2-dibromo-2,2-dichloroethyl) diethyl phosphate.
What is the SMILES notation for (1,2-dibromo-2,2-dichloroethyl) diethyl phosphate?
The canonical SMILES for (1,2-dibromo-2,2-dichloroethyl) diethyl phosphate is CCOP(=O)(OCC)OC(Br)C(Cl)(Cl)Br.
What is the InChIKey of (1,2-dibromo-2,2-dichloroethyl) diethyl phosphate?
The InChIKey is PFPPRAJHLOVHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Br2Cl2O4P/c1-3-12-15(11,13-4-2)14-5(7)6(8,9)10/h5H,3-4H2,1-2H3.
What are the key properties of (1,2-dibromo-2,2-dichloroethyl) diethyl phosphate?
(1,2-dibromo-2,2-dichloroethyl) diethyl phosphate has a molecular weight of 408.84 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dibromo-2,2-dichloroethyl) diethyl phosphate is sourced from PubChem (CID 21398776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).