azane;2,2,2-trichloroethanol

C2H6Cl3NO — CID 87325391

IUPACazane;2,2,2-trichloroethanol
SMILESN.OCC(Cl)(Cl)Cl
InChIInChI=1S/C2H3Cl3O.H3N/c3-2(4,5)1-6;/h6H,1H2;1H3
InChIKeyHLSCEYYXNLPAGG-UHFFFAOYSA-N
MW166.43 g/mol
LogP1.51
Rot. Bonds

About azane;2,2,2-trichloroethanol

azane;2,2,2-trichloroethanol (PubChem CID 87325391) has the molecular formula C2H6Cl3NO and a molecular weight of 166.43 g/mol. Its IUPAC name is azane;2,2,2-trichloroethanol.

Molecular Properties

Compound Nameazane;2,2,2-trichloroethanol
PubChem CID87325391
Molecular FormulaC2H6Cl3NO
Molecular Weight166.43 g/mol
Exact Mass164.95
IUPAC Nameazane;2,2,2-trichloroethanol
SMILESN.OCC(Cl)(Cl)Cl
InChIInChI=1S/C2H3Cl3O.H3N/c3-2(4,5)1-6;/h6H,1H2;1H3
InChIKeyHLSCEYYXNLPAGG-UHFFFAOYSA-N
XLogP1.51
TPSA55.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.43
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trichloroethanol
CID 8259
1,1-dichloroethane-1,2-diol
CID 18924118
2,3-dichloro-2-fluoropropan-1-ol
CID 55300893
2-amino-2,2-dichloroethanol;hydrochloride
CID 173208337
(dichloromethane);2,2-dichloropropane-1,3-diol
CID 173248900
1,1,2-trichloroethanol
CID 14671512
1,1,2-trichloroethanol
CID 176909401
ethanol;tetrachloromethane
CID 23446399
1,1,1,2-tetrachloroethane
CID 12418
sodium;hydroxy-oxo-phosphooxyphosphanium;2,2,2-trichloroethanol
CID 88679015
azane;2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 88666778
1,1,1,2-tetrachloroethane;1,1,2,2-tetrachloroethane
CID 23424235

Frequently Asked Questions

What is the IUPAC name of azane;2,2,2-trichloroethanol?
The IUPAC name of azane;2,2,2-trichloroethanol (CID 87325391) is azane;2,2,2-trichloroethanol.
What is the SMILES notation for azane;2,2,2-trichloroethanol?
The canonical SMILES for azane;2,2,2-trichloroethanol is N.OCC(Cl)(Cl)Cl.
What is the InChIKey of azane;2,2,2-trichloroethanol?
The InChIKey is HLSCEYYXNLPAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3Cl3O.H3N/c3-2(4,5)1-6;/h6H,1H2;1H3.
What are the key properties of azane;2,2,2-trichloroethanol?
azane;2,2,2-trichloroethanol has a molecular weight of 166.43 g/mol, XLogP of 1.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,2,2-trichloroethanol is sourced from PubChem (CID 87325391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).