azanium;chloroform;ethoxyethane;methanol;hydroxide

C6H20Cl3NO3 — CID 19437863

IUPACazanium;chloroform;ethoxyethane;methanol;hydroxide
SMILESCCOCC.CO.ClC(Cl)Cl.[NH4+].[OH-]
InChIInChI=1S/C4H10O.CHCl3.CH4O.H3N.H2O/c1-3-5-4-2;2-1(3)4;1-2;;/h3-4H2,1-2H3;1H;2H,1H3;1H3;1H2
InChIKeyBVNYRPWHJUYDSD-UHFFFAOYSA-N
MW260.59 g/mol
LogP2.84
Rot. Bonds2

About azanium;chloroform;ethoxyethane;methanol;hydroxide

azanium;chloroform;ethoxyethane;methanol;hydroxide (PubChem CID 19437863) has the molecular formula C6H20Cl3NO3 and a molecular weight of 260.59 g/mol. Its IUPAC name is azanium;chloroform;ethoxyethane;methanol;hydroxide.

Molecular Properties

Compound Nameazanium;chloroform;ethoxyethane;methanol;hydroxide
PubChem CID19437863
Molecular FormulaC6H20Cl3NO3
Molecular Weight260.59 g/mol
Exact Mass259.05
IUPAC Nameazanium;chloroform;ethoxyethane;methanol;hydroxide
SMILESCCOCC.CO.ClC(Cl)Cl.[NH4+].[OH-]
InChIInChI=1S/C4H10O.CHCl3.CH4O.H3N.H2O/c1-3-5-4-2;2-1(3)4;1-2;;/h3-4H2,1-2H3;1H;2H,1H3;1H3;1H2
InChIKeyBVNYRPWHJUYDSD-UHFFFAOYSA-N
XLogP2.84
TPSA95.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.59
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

chloroform;ethanol;ethoxyethane
CID 87752781
chloroform;ethoxyethane;hexane;methanol
CID 173390490
ethoxyethane;1,1,2,2-tetrachloroethane
CID 174880483
2,2-dichloroethanol;ethoxyethane
CID 22662862
dichloromethane;ethoxyethane;methanol;hydrochloride
CID 131723053
chloroform;2-ethoxyethanol
CID 118659201
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
ethoxyethane;hydroxylamine
CID 135816400
barium(2+);ethoxyethane;titanium;tetrahydroxide
CID 18003952
ethoxyethane;sulfane
CID 87243372
ethoxyethane;sulfane
CID 90240371

Frequently Asked Questions

What is the IUPAC name of azanium;chloroform;ethoxyethane;methanol;hydroxide?
The IUPAC name of azanium;chloroform;ethoxyethane;methanol;hydroxide (CID 19437863) is azanium;chloroform;ethoxyethane;methanol;hydroxide.
What is the SMILES notation for azanium;chloroform;ethoxyethane;methanol;hydroxide?
The canonical SMILES for azanium;chloroform;ethoxyethane;methanol;hydroxide is CCOCC.CO.ClC(Cl)Cl.[NH4+].[OH-].
What is the InChIKey of azanium;chloroform;ethoxyethane;methanol;hydroxide?
The InChIKey is BVNYRPWHJUYDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.CHCl3.CH4O.H3N.H2O/c1-3-5-4-2;2-1(3)4;1-2;;/h3-4H2,1-2H3;1H;2H,1H3;1H3;1H2.
What are the key properties of azanium;chloroform;ethoxyethane;methanol;hydroxide?
azanium;chloroform;ethoxyethane;methanol;hydroxide has a molecular weight of 260.59 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;chloroform;ethoxyethane;methanol;hydroxide is sourced from PubChem (CID 19437863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).