triethylazanium;2,2,2-trifluoroethanolate

C8H18F3NO — CID 87553441

IUPACtriethylazanium;2,2,2-trifluoroethanolate
SMILESCC[NH+](CC)CC.[O-]CC(F)(F)F
InChIInChI=1S/C6H15N.C2H2F3O/c1-4-7(5-2)6-3;3-2(4,5)1-6/h4-6H2,1-3H3;1H2/q;-1/p+1
InChIKeyXYIAEIJXZRDJGE-UHFFFAOYSA-O
MW201.23 g/mol
LogP-0.16
Rot. Bonds3

About triethylazanium;2,2,2-trifluoroethanolate

triethylazanium;2,2,2-trifluoroethanolate (PubChem CID 87553441) has the molecular formula C8H18F3NO and a molecular weight of 201.23 g/mol. Its IUPAC name is triethylazanium;2,2,2-trifluoroethanolate.

Molecular Properties

Compound Nametriethylazanium;2,2,2-trifluoroethanolate
PubChem CID87553441
Molecular FormulaC8H18F3NO
Molecular Weight201.23 g/mol
Exact Mass201.13
IUPAC Nametriethylazanium;2,2,2-trifluoroethanolate
SMILESCC[NH+](CC)CC.[O-]CC(F)(F)F
InChIInChI=1S/C6H15N.C2H2F3O/c1-4-7(5-2)6-3;3-2(4,5)1-6/h4-6H2,1-3H3;1H2/q;-1/p+1
InChIKeyXYIAEIJXZRDJGE-UHFFFAOYSA-O
XLogP-0.16
TPSA27.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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methanolate;(oxygen(2-));tetrakis(triethylazanium);dodecakis(vanadium)
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disodium;butan-1-olate;2,2,2-trifluoroethanolate
CID 156788904
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bis(trifluoromethylsulfonyl)azanide;triethylazanium
CID 11014427
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1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfinate;triethylazanium
CID 86660801
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Frequently Asked Questions

What is the IUPAC name of triethylazanium;2,2,2-trifluoroethanolate?
The IUPAC name of triethylazanium;2,2,2-trifluoroethanolate (CID 87553441) is triethylazanium;2,2,2-trifluoroethanolate.
What is the SMILES notation for triethylazanium;2,2,2-trifluoroethanolate?
The canonical SMILES for triethylazanium;2,2,2-trifluoroethanolate is CC[NH+](CC)CC.[O-]CC(F)(F)F.
What is the InChIKey of triethylazanium;2,2,2-trifluoroethanolate?
The InChIKey is XYIAEIJXZRDJGE-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H15N.C2H2F3O/c1-4-7(5-2)6-3;3-2(4,5)1-6/h4-6H2,1-3H3;1H2/q;-1/p+1.
What are the key properties of triethylazanium;2,2,2-trifluoroethanolate?
triethylazanium;2,2,2-trifluoroethanolate has a molecular weight of 201.23 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethylazanium;2,2,2-trifluoroethanolate is sourced from PubChem (CID 87553441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).