2-amino-2,2-dichloroethanol;hydrochloride

C2H6Cl3NO — CID 173208337

IUPAC2-amino-2,2-dichloroethanol;hydrochloride
SMILESCl.NC(Cl)(Cl)CO
InChIInChI=1S/C2H5Cl2NO.ClH/c3-2(4,5)1-6;/h6H,1,5H2;1H
InChIKeyGXQSXNWAAUCUCG-UHFFFAOYSA-N
MW166.43 g/mol
LogP0.49
Rot. Bonds1

About 2-amino-2,2-dichloroethanol;hydrochloride

2-amino-2,2-dichloroethanol;hydrochloride (PubChem CID 173208337) has the molecular formula C2H6Cl3NO and a molecular weight of 166.43 g/mol. Its IUPAC name is 2-amino-2,2-dichloroethanol;hydrochloride.

Molecular Properties

Compound Name2-amino-2,2-dichloroethanol;hydrochloride
PubChem CID173208337
Molecular FormulaC2H6Cl3NO
Molecular Weight166.43 g/mol
Exact Mass164.95
IUPAC Name2-amino-2,2-dichloroethanol;hydrochloride
SMILESCl.NC(Cl)(Cl)CO
InChIInChI=1S/C2H5Cl2NO.ClH/c3-2(4,5)1-6;/h6H,1,5H2;1H
InChIKeyGXQSXNWAAUCUCG-UHFFFAOYSA-N
XLogP0.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.43
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-(hydroxymethyl)propane-1,3-diol;trihydrochloride
CID 19084655
2,2,2-trichloroethanol
CID 8259
azane;2,2,2-trichloroethanol
CID 87325391
1,1-dichloroethane-1,2-diol
CID 18924118
3-amino-3-chloropentane-1,5-diol
CID 88510587
CID 87493832
CID 87493832
2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-dimethylmethanamine;dihydrochloride
CID 175534832
2-amino-2-(hydroxymethyl)propane-1,3-diol;chloromethanol;methanamine
CID 88625079
lithium;2-amino-2-(hydroxymethyl)propane-1,3-diol;hydride
CID 173034607
(dichloromethane);2,2-dichloropropane-1,3-diol
CID 173248900
1-chloro-2-methylprop-2-ene-1,1-diamine
CID 123338882
2-amino-2-methylpropane-1,3-diol;azane
CID 172847501

Frequently Asked Questions

What is the IUPAC name of 2-amino-2,2-dichloroethanol;hydrochloride?
The IUPAC name of 2-amino-2,2-dichloroethanol;hydrochloride (CID 173208337) is 2-amino-2,2-dichloroethanol;hydrochloride.
What is the SMILES notation for 2-amino-2,2-dichloroethanol;hydrochloride?
The canonical SMILES for 2-amino-2,2-dichloroethanol;hydrochloride is Cl.NC(Cl)(Cl)CO.
What is the InChIKey of 2-amino-2,2-dichloroethanol;hydrochloride?
The InChIKey is GXQSXNWAAUCUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5Cl2NO.ClH/c3-2(4,5)1-6;/h6H,1,5H2;1H.
What are the key properties of 2-amino-2,2-dichloroethanol;hydrochloride?
2-amino-2,2-dichloroethanol;hydrochloride has a molecular weight of 166.43 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,2-dichloroethanol;hydrochloride is sourced from PubChem (CID 173208337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).