tetraethylazanium;2,2,2-trifluoroacetic acid

C10H21F3NO2+ — CID 123134708

IUPACtetraethylazanium;2,2,2-trifluoroacetic acid
SMILESCC[N+](CC)(CC)CC.O=C(O)C(F)(F)F
InChIInChI=1S/C8H20N.C2HF3O2/c1-5-9(6-2,7-3)8-4;3-2(4,5)1(6)7/h5-8H2,1-4H3;(H,6,7)/q+1;
InChIKeySBOOKGHQWGEWCB-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.52
Rot. Bonds4

About tetraethylazanium;2,2,2-trifluoroacetic acid

tetraethylazanium;2,2,2-trifluoroacetic acid (PubChem CID 123134708) has the molecular formula C10H21F3NO2+ and a molecular weight of 244.28 g/mol. Its IUPAC name is tetraethylazanium;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nametetraethylazanium;2,2,2-trifluoroacetic acid
PubChem CID123134708
Molecular FormulaC10H21F3NO2+
Molecular Weight244.28 g/mol
Exact Mass244.15
IUPAC Nametetraethylazanium;2,2,2-trifluoroacetic acid
SMILESCC[N+](CC)(CC)CC.O=C(O)C(F)(F)F
InChIInChI=1S/C8H20N.C2HF3O2/c1-5-9(6-2,7-3)8-4;3-2(4,5)1(6)7/h5-8H2,1-4H3;(H,6,7)/q+1;
InChIKeySBOOKGHQWGEWCB-UHFFFAOYSA-N
XLogP2.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

Triethylamine acetate
CID 165295
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Tetraethylammonium trifluoroacetate
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N,N-diisopropylethylamine trifluoroacetate
CID 12593398
acetonitrile;N,N-diethylethanamine;2,2,2-trifluoroacetic acid;hydrate
CID 19011121
Tetrapropylazanium;2,2,2-trifluoroacetate
CID 21902798
Ethyl-dimethyl-propylazanium;2,2,2-trifluoroacetate
CID 22062392
N,N-dimethylbutan-1-amine;2,2,2-trifluoroacetic acid
CID 22623627
Tetraethylazanium;2,2,3,3-tetrafluoropropanoate
CID 23374836
Bis(2-hydroxyethyl)-dimethylazanium;2,2,2-trifluoroacetate
CID 57483586
acetic acid;N-ethyl-N-methylethanamine
CID 71326185
N,N-dipropylpropan-1-amine;2,2,2-trifluoroacetic acid
CID 85804201

Frequently Asked Questions

What is the IUPAC name of tetraethylazanium;2,2,2-trifluoroacetic acid?
The IUPAC name of tetraethylazanium;2,2,2-trifluoroacetic acid (CID 123134708) is tetraethylazanium;2,2,2-trifluoroacetic acid.
What is the SMILES notation for tetraethylazanium;2,2,2-trifluoroacetic acid?
The canonical SMILES for tetraethylazanium;2,2,2-trifluoroacetic acid is CC[N+](CC)(CC)CC.O=C(O)C(F)(F)F.
What is the InChIKey of tetraethylazanium;2,2,2-trifluoroacetic acid?
The InChIKey is SBOOKGHQWGEWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N.C2HF3O2/c1-5-9(6-2,7-3)8-4;3-2(4,5)1(6)7/h5-8H2,1-4H3;(H,6,7)/q+1;.
What are the key properties of tetraethylazanium;2,2,2-trifluoroacetic acid?
tetraethylazanium;2,2,2-trifluoroacetic acid has a molecular weight of 244.28 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethylazanium;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 123134708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).