amino-(1,1,2,2-tetrachloroethylamino)phosphinic acid

C2H5Cl4N2O2P — CID 54438646

IUPACamino-(1,1,2,2-tetrachloroethylamino)phosphinic acid
SMILESNP(=O)(O)NC(Cl)(Cl)C(Cl)Cl
InChIInChI=1S/C2H5Cl4N2O2P/c3-1(4)2(5,6)8-11(7,9)10/h1H,(H4,7,8,9,10)
InChIKeyWMNFQQOXMMERCU-UHFFFAOYSA-N
MW261.86 g/mol
LogP1.57
Rot. Bonds3

About amino-(1,1,2,2-tetrachloroethylamino)phosphinic acid

amino-(1,1,2,2-tetrachloroethylamino)phosphinic acid (PubChem CID 54438646) has the molecular formula C2H5Cl4N2O2P and a molecular weight of 261.86 g/mol. Its IUPAC name is amino-(1,1,2,2-tetrachloroethylamino)phosphinic acid.

Molecular Properties

Compound Nameamino-(1,1,2,2-tetrachloroethylamino)phosphinic acid
PubChem CID54438646
Molecular FormulaC2H5Cl4N2O2P
Molecular Weight261.86 g/mol
Exact Mass259.88
IUPAC Nameamino-(1,1,2,2-tetrachloroethylamino)phosphinic acid
SMILESNP(=O)(O)NC(Cl)(Cl)C(Cl)Cl
InChIInChI=1S/C2H5Cl4N2O2P/c3-1(4)2(5,6)8-11(7,9)10/h1H,(H4,7,8,9,10)
InChIKeyWMNFQQOXMMERCU-UHFFFAOYSA-N
XLogP1.57
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.86
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

aminophosphonic acid;rhenium
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[dichloro(phosphono)methyl]phosphonic acid;methanamine
CID 172784939
[dichloro(phosphono)methyl]phosphonic acid
CID 25419
CID 131878072
CID 131878072
1,1,2,2-tetrachloroethanol
CID 18356623
1,1,2-trichloropropyl dihydrogen phosphate
CID 3036981
(3,5,5,5-tetrachloro-2-methylpentan-2-yl) dihydrogen phosphate
CID 54000646
(2,2,2-trichloro-1-formamidoethyl)phosphonic acid
CID 3313099
CID 159330917
CID 159330917
hydroxylamine;phosphoric acid
CID 160630292
aminophosphonic acid;methylphosphonic acid
CID 87311898

Frequently Asked Questions

What is the IUPAC name of amino-(1,1,2,2-tetrachloroethylamino)phosphinic acid?
The IUPAC name of amino-(1,1,2,2-tetrachloroethylamino)phosphinic acid (CID 54438646) is amino-(1,1,2,2-tetrachloroethylamino)phosphinic acid.
What is the SMILES notation for amino-(1,1,2,2-tetrachloroethylamino)phosphinic acid?
The canonical SMILES for amino-(1,1,2,2-tetrachloroethylamino)phosphinic acid is NP(=O)(O)NC(Cl)(Cl)C(Cl)Cl.
What is the InChIKey of amino-(1,1,2,2-tetrachloroethylamino)phosphinic acid?
The InChIKey is WMNFQQOXMMERCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5Cl4N2O2P/c3-1(4)2(5,6)8-11(7,9)10/h1H,(H4,7,8,9,10).
What are the key properties of amino-(1,1,2,2-tetrachloroethylamino)phosphinic acid?
amino-(1,1,2,2-tetrachloroethylamino)phosphinic acid has a molecular weight of 261.86 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(1,1,2,2-tetrachloroethylamino)phosphinic acid is sourced from PubChem (CID 54438646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).