azane;2,2-dichloroethanol

C2H7Cl2NO — CID 87173184

IUPACazane;2,2-dichloroethanol
SMILESN.OCC(Cl)Cl
InChIInChI=1S/C2H4Cl2O.H3N/c3-2(4)1-5;/h2,5H,1H2;1H3
InChIKeyFRILRURBUFJBCN-UHFFFAOYSA-N
MW131.99 g/mol
LogP0.94
Rot. Bonds1

About azane;2,2-dichloroethanol

azane;2,2-dichloroethanol (PubChem CID 87173184) has the molecular formula C2H7Cl2NO and a molecular weight of 131.99 g/mol. Its IUPAC name is azane;2,2-dichloroethanol.

Molecular Properties

Compound Nameazane;2,2-dichloroethanol
PubChem CID87173184
Molecular FormulaC2H7Cl2NO
Molecular Weight131.99 g/mol
Exact Mass130.99
IUPAC Nameazane;2,2-dichloroethanol
SMILESN.OCC(Cl)Cl
InChIInChI=1S/C2H4Cl2O.H3N/c3-2(4)1-5;/h2,5H,1H2;1H3
InChIKeyFRILRURBUFJBCN-UHFFFAOYSA-N
XLogP0.94
TPSA55.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.99
LogP ≤ 50.94
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

azane;2,2-dichloroethanol;nonakis(dichloromethane)
CID 173068778
icosakis(2,2-dichloroethanol);methanol
CID 173499766
2,2-dichloroethanol;(dichloromethane)
CID 173081076
2,2-dichloroethanol;ethoxyethane
CID 22662862
chloroform;2-methylpropan-1-ol
CID 22625576
chloroform;propane-1,2-diol
CID 159626759
2-(5,5-dichloropentyl)propane-1,3-diol
CID 18674567
chloroform;ethanol
CID 173257897
2,3-diiodobutane-1,4-diol
CID 134177181
azane;tris(2-methylpropan-1-ol)
CID 175819145
azane;2-bromo-1,1-dichloroethane
CID 174995593
2,3-dichloropropan-1-ol;hydrate
CID 88835584

Frequently Asked Questions

What is the IUPAC name of azane;2,2-dichloroethanol?
The IUPAC name of azane;2,2-dichloroethanol (CID 87173184) is azane;2,2-dichloroethanol.
What is the SMILES notation for azane;2,2-dichloroethanol?
The canonical SMILES for azane;2,2-dichloroethanol is N.OCC(Cl)Cl.
What is the InChIKey of azane;2,2-dichloroethanol?
The InChIKey is FRILRURBUFJBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Cl2O.H3N/c3-2(4)1-5;/h2,5H,1H2;1H3.
What are the key properties of azane;2,2-dichloroethanol?
azane;2,2-dichloroethanol has a molecular weight of 131.99 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,2-dichloroethanol is sourced from PubChem (CID 87173184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).