chloroform;ethanol;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate;hydrate

C9H21BCl3F4N2O2- — CID 174810794

IUPACchloroform;ethanol;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate;hydrate
SMILESCCN1C=CN(C)C1.CCO.ClC(Cl)Cl.F[B-](F)(F)F.O
InChIInChI=1S/C6H12N2.C2H6O.CHCl3.BF4.H2O/c1-3-8-5-4-7(2)6-8;1-2-3;2-1(3)4;2-1(3,4)5;/h4-5H,3,6H2,1-2H3;3H,2H2,1H3;1H;;1H2/q;;;-1;
InChIKeyCKRHKNODWHFSDF-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.14
Rot. Bonds1

About chloroform;ethanol;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate;hydrate

chloroform;ethanol;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate;hydrate (PubChem CID 174810794) has the molecular formula C9H21BCl3F4N2O2- and a molecular weight of 382.44 g/mol. Its IUPAC name is chloroform;ethanol;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate;hydrate.

Molecular Properties

Compound Namechloroform;ethanol;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate;hydrate
PubChem CID174810794
Molecular FormulaC9H21BCl3F4N2O2-
Molecular Weight382.44 g/mol
Exact Mass381.07
IUPAC Namechloroform;ethanol;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate;hydrate
SMILESCCN1C=CN(C)C1.CCO.ClC(Cl)Cl.F[B-](F)(F)F.O
InChIInChI=1S/C6H12N2.C2H6O.CHCl3.BF4.H2O/c1-3-8-5-4-7(2)6-8;1-2-3;2-1(3)4;2-1(3,4)5;/h4-5H,3,6H2,1-2H3;3H,2H2,1H3;1H;;1H2/q;;;-1;
InChIKeyCKRHKNODWHFSDF-UHFFFAOYSA-N
XLogP3.14
TPSA58.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloroform;ethanol;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate;hydrate?
The IUPAC name of chloroform;ethanol;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate;hydrate (CID 174810794) is chloroform;ethanol;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate;hydrate.
What is the SMILES notation for chloroform;ethanol;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate;hydrate?
The canonical SMILES for chloroform;ethanol;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate;hydrate is CCN1C=CN(C)C1.CCO.ClC(Cl)Cl.F[B-](F)(F)F.O.
What is the InChIKey of chloroform;ethanol;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate;hydrate?
The InChIKey is CKRHKNODWHFSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.C2H6O.CHCl3.BF4.H2O/c1-3-8-5-4-7(2)6-8;1-2-3;2-1(3)4;2-1(3,4)5;/h4-5H,3,6H2,1-2H3;3H,2H2,1H3;1H;;1H2/q;;;-1;.
What are the key properties of chloroform;ethanol;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate;hydrate?
chloroform;ethanol;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate;hydrate has a molecular weight of 382.44 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;ethanol;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate;hydrate is sourced from PubChem (CID 174810794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).