trimethyl-[2-[(2,2,2-trichloroacetyl)amino]oxyethyl]azanium chloride

C7H14Cl4N2O2 — CID 90374902

IUPACtrimethyl-[2-[(2,2,2-trichloroacetyl)amino]oxyethyl]azanium chloride
SMILESC[N+](C)(C)CCONC(=O)C(Cl)(Cl)Cl.[Cl-]
InChIInChI=1S/C7H13Cl3N2O2.ClH/c1-12(2,3)4-5-14-11-6(13)7(8,9)10;/h4-5H2,1-3H3;1H
InChIKeyBGLWDYRRRJJTRB-UHFFFAOYSA-N
MW300.01 g/mol
LogP-1.89
Rot. Bonds4

About trimethyl-[2-[(2,2,2-trichloroacetyl)amino]oxyethyl]azanium chloride

trimethyl-[2-[(2,2,2-trichloroacetyl)amino]oxyethyl]azanium chloride (PubChem CID 90374902) has the molecular formula C7H14Cl4N2O2 and a molecular weight of 300.01 g/mol. Its IUPAC name is trimethyl-[2-[(2,2,2-trichloroacetyl)amino]oxyethyl]azanium chloride.

Molecular Properties

Compound Nametrimethyl-[2-[(2,2,2-trichloroacetyl)amino]oxyethyl]azanium chloride
PubChem CID90374902
Molecular FormulaC7H14Cl4N2O2
Molecular Weight300.01 g/mol
Exact Mass297.98
IUPAC Nametrimethyl-[2-[(2,2,2-trichloroacetyl)amino]oxyethyl]azanium chloride
SMILESC[N+](C)(C)CCONC(=O)C(Cl)(Cl)Cl.[Cl-]
InChIInChI=1S/C7H13Cl3N2O2.ClH/c1-12(2,3)4-5-14-11-6(13)7(8,9)10;/h4-5H2,1-3H3;1H
InChIKeyBGLWDYRRRJJTRB-UHFFFAOYSA-N
XLogP-1.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.01
LogP ≤ 5-1.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

CID 158732412
CID 158732412
trimethyl-[2-(2-methylpropanoyloxy)ethyl]azanium chloride
CID 139213202
azane;2-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride
CID 174427776
barium(2+);2-carbamoyloxyethyl(trimethyl)azanium
CID 88516621
2-acetyloxyethyl(trimethyl)azanium bromide
CID 547020
2-acetyloxyethyl(trimethyl)azanium;phosphane
CID 172811747
chloroethane;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 19391993
2-(4-chlorobutanoyloxy)ethyl-trimethylazanium
CID 90374821
CID 174726495
CID 174726495
calcium;2-acetyloxyethyl(trimethyl)azanium;hydride
CID 174840890
2-formamidooxyethyl(trimethyl)azanium
CID 90374698
2-[carboxy(chloro)methoxy]ethyl-trimethylazanium chloride
CID 175461531

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[(2,2,2-trichloroacetyl)amino]oxyethyl]azanium chloride?
The IUPAC name of trimethyl-[2-[(2,2,2-trichloroacetyl)amino]oxyethyl]azanium chloride (CID 90374902) is trimethyl-[2-[(2,2,2-trichloroacetyl)amino]oxyethyl]azanium chloride.
What is the SMILES notation for trimethyl-[2-[(2,2,2-trichloroacetyl)amino]oxyethyl]azanium chloride?
The canonical SMILES for trimethyl-[2-[(2,2,2-trichloroacetyl)amino]oxyethyl]azanium chloride is C[N+](C)(C)CCONC(=O)C(Cl)(Cl)Cl.[Cl-].
What is the InChIKey of trimethyl-[2-[(2,2,2-trichloroacetyl)amino]oxyethyl]azanium chloride?
The InChIKey is BGLWDYRRRJJTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl3N2O2.ClH/c1-12(2,3)4-5-14-11-6(13)7(8,9)10;/h4-5H2,1-3H3;1H.
What are the key properties of trimethyl-[2-[(2,2,2-trichloroacetyl)amino]oxyethyl]azanium chloride?
trimethyl-[2-[(2,2,2-trichloroacetyl)amino]oxyethyl]azanium chloride has a molecular weight of 300.01 g/mol, XLogP of -1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(2,2,2-trichloroacetyl)amino]oxyethyl]azanium chloride is sourced from PubChem (CID 90374902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).