dichlorophosphoryl acetate;2-hydroxyethyl(trimethyl)azanium

C7H17Cl2NO4P+ — CID 88636873

IUPACdichlorophosphoryl acetate;2-hydroxyethyl(trimethyl)azanium
SMILESCC(=O)OP(=O)(Cl)Cl.C[N+](C)(C)CCO
InChIInChI=1S/C5H14NO.C2H3Cl2O3P/c1-6(2,3)4-5-7;1-2(5)7-8(3,4)6/h7H,4-5H2,1-3H3;1H3/q+1;
InChIKeyXCMIZXGCQFKKRR-UHFFFAOYSA-N
MW281.10 g/mol
LogP1.82
Rot. Bonds3

About dichlorophosphoryl acetate;2-hydroxyethyl(trimethyl)azanium

dichlorophosphoryl acetate;2-hydroxyethyl(trimethyl)azanium (PubChem CID 88636873) has the molecular formula C7H17Cl2NO4P+ and a molecular weight of 281.10 g/mol. Its IUPAC name is dichlorophosphoryl acetate;2-hydroxyethyl(trimethyl)azanium.

Molecular Properties

Compound Namedichlorophosphoryl acetate;2-hydroxyethyl(trimethyl)azanium
PubChem CID88636873
Molecular FormulaC7H17Cl2NO4P+
Molecular Weight281.10 g/mol
Exact Mass280.03
IUPAC Namedichlorophosphoryl acetate;2-hydroxyethyl(trimethyl)azanium
SMILESCC(=O)OP(=O)(Cl)Cl.C[N+](C)(C)CCO
InChIInChI=1S/C5H14NO.C2H3Cl2O3P/c1-6(2,3)4-5-7;1-2(5)7-8(3,4)6/h7H,4-5H2,1-3H3;1H3/q+1;
InChIKeyXCMIZXGCQFKKRR-UHFFFAOYSA-N
XLogP1.82
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.10
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze dichlorophosphoryl acetate;2-hydroxyethyl(trimethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxyethyl(trimethyl)azanium;methyl carbonochloridate
CID 174918348
2-hydroxyethyl(trimethyl)azanium;molecular oxygen
CID 87859014
sodium;hydride;2-hydroxyethyl(trimethyl)azanium;phosphoric acid
CID 174491788
tetrakis(2-hydroxyethyl(trimethyl)azanium);chloride;phosphate
CID 57350182
bis(2-hydroxyethyl(trimethyl)azanium);carbonate
CID 11701720
calcium;2-hydroxyethyl(trimethyl)azanium;phosphate;hydrochloride
CID 173268854
hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium;dihydrate
CID 22266794
deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium)
CID 141334455
barium(2+);2-hydroxyethyl(trimethyl)azanium
CID 88662937
2-hydroxyethyl(trimethyl)azanium;hydroxylamine
CID 86628599
selanium 2-hydroxyethyl(trimethyl)azanium
CID 57348093
copper 2-hydroxyethyl(trimethyl)azanium
CID 89239745

Frequently Asked Questions

What is the IUPAC name of dichlorophosphoryl acetate;2-hydroxyethyl(trimethyl)azanium?
The IUPAC name of dichlorophosphoryl acetate;2-hydroxyethyl(trimethyl)azanium (CID 88636873) is dichlorophosphoryl acetate;2-hydroxyethyl(trimethyl)azanium.
What is the SMILES notation for dichlorophosphoryl acetate;2-hydroxyethyl(trimethyl)azanium?
The canonical SMILES for dichlorophosphoryl acetate;2-hydroxyethyl(trimethyl)azanium is CC(=O)OP(=O)(Cl)Cl.C[N+](C)(C)CCO.
What is the InChIKey of dichlorophosphoryl acetate;2-hydroxyethyl(trimethyl)azanium?
The InChIKey is XCMIZXGCQFKKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO.C2H3Cl2O3P/c1-6(2,3)4-5-7;1-2(5)7-8(3,4)6/h7H,4-5H2,1-3H3;1H3/q+1;.
What are the key properties of dichlorophosphoryl acetate;2-hydroxyethyl(trimethyl)azanium?
dichlorophosphoryl acetate;2-hydroxyethyl(trimethyl)azanium has a molecular weight of 281.10 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorophosphoryl acetate;2-hydroxyethyl(trimethyl)azanium is sourced from PubChem (CID 88636873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).