azane;2,2-dichloroacetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol

C7H18Cl2N2O4 — CID 175077648

IUPACazane;2,2-dichloroacetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol
SMILESCN(CCO)CCO.N.O=C(O)C(Cl)Cl
InChIInChI=1S/C5H13NO2.C2H2Cl2O2.H3N/c1-6(2-4-7)3-5-8;3-1(4)2(5)6;/h7-8H,2-5H2,1H3;1H,(H,5,6);1H3
InChIKeyALAJXJGVLWWGSZ-UHFFFAOYSA-N
MW265.14 g/mol
LogP-0.06
Rot. Bonds5

About azane;2,2-dichloroacetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol

azane;2,2-dichloroacetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol (PubChem CID 175077648) has the molecular formula C7H18Cl2N2O4 and a molecular weight of 265.14 g/mol. Its IUPAC name is azane;2,2-dichloroacetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol.

Molecular Properties

Compound Nameazane;2,2-dichloroacetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol
PubChem CID175077648
Molecular FormulaC7H18Cl2N2O4
Molecular Weight265.14 g/mol
Exact Mass264.06
IUPAC Nameazane;2,2-dichloroacetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol
SMILESCN(CCO)CCO.N.O=C(O)C(Cl)Cl
InChIInChI=1S/C5H13NO2.C2H2Cl2O2.H3N/c1-6(2-4-7)3-5-8;3-1(4)2(5)6;/h7-8H,2-5H2,1H3;1H,(H,5,6);1H3
InChIKeyALAJXJGVLWWGSZ-UHFFFAOYSA-N
XLogP-0.06
TPSA116.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 160580460
ethane;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 169191994
2-[2-hydroxyethyl(methyl)amino]ethanol;propane
CID 142839761
ethane;2-[2-hydroxyethyl(methyl)amino]acetic acid
CID 164543067
copper;bis(2-[2-hydroxyethyl(methyl)amino]acetic acid)
CID 56841196
2-[3-[2-hydroxyethyl(methyl)amino]propanoylamino]-3-methylbutanoic acid
CID 82041809
8-[2-hydroxyethyl(methyl)amino]octanoic acid
CID 170273809
2-[2,2-dichloroethyl(methyl)amino]ethanol;methyl hydrogen sulfate
CID 175588943
bis(2,2-dichloroacetic acid);dihydrochloride
CID 173211247
2-[2-hydroxyethyl(methyl)amino]ethanol;sulfamic acid
CID 174686265
2,2-dichloroacetic acid;2-(2-hydroxyethoxy)ethanol
CID 87519110
2-[[3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanoyl]amino]propanoic acid
CID 82041814

Frequently Asked Questions

What is the IUPAC name of azane;2,2-dichloroacetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol?
The IUPAC name of azane;2,2-dichloroacetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol (CID 175077648) is azane;2,2-dichloroacetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol.
What is the SMILES notation for azane;2,2-dichloroacetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol?
The canonical SMILES for azane;2,2-dichloroacetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol is CN(CCO)CCO.N.O=C(O)C(Cl)Cl.
What is the InChIKey of azane;2,2-dichloroacetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol?
The InChIKey is ALAJXJGVLWWGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2.C2H2Cl2O2.H3N/c1-6(2-4-7)3-5-8;3-1(4)2(5)6;/h7-8H,2-5H2,1H3;1H,(H,5,6);1H3.
What are the key properties of azane;2,2-dichloroacetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol?
azane;2,2-dichloroacetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol has a molecular weight of 265.14 g/mol, XLogP of -0.06, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,2-dichloroacetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol is sourced from PubChem (CID 175077648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).