tetraethylazanium;2,2,3,3-tetrafluoropropanoate

C11H21F4NO2 — CID 23374836

IUPACtetraethylazanium;2,2,3,3-tetrafluoropropanoate
SMILESCC[N+](CC)(CC)CC.O=C([O-])C(F)(F)C(F)F
InChIInChI=1S/C8H20N.C3H2F4O2/c1-5-9(6-2,7-3)8-4;4-1(5)3(6,7)2(8)9/h5-8H2,1-4H3;1H,(H,8,9)/q+1;/p-1
InChIKeyBAAVWOQAFPNNDA-UHFFFAOYSA-M
MW275.29 g/mol
LogP1.52
Rot. Bonds6

About tetraethylazanium;2,2,3,3-tetrafluoropropanoate

tetraethylazanium;2,2,3,3-tetrafluoropropanoate (PubChem CID 23374836) has the molecular formula C11H21F4NO2 and a molecular weight of 275.29 g/mol. Its IUPAC name is tetraethylazanium;2,2,3,3-tetrafluoropropanoate.

Molecular Properties

Compound Nametetraethylazanium;2,2,3,3-tetrafluoropropanoate
PubChem CID23374836
Molecular FormulaC11H21F4NO2
Molecular Weight275.29 g/mol
Exact Mass275.15
IUPAC Nametetraethylazanium;2,2,3,3-tetrafluoropropanoate
SMILESCC[N+](CC)(CC)CC.O=C([O-])C(F)(F)C(F)F
InChIInChI=1S/C8H20N.C3H2F4O2/c1-5-9(6-2,7-3)8-4;4-1(5)3(6,7)2(8)9/h5-8H2,1-4H3;1H,(H,8,9)/q+1;/p-1
InChIKeyBAAVWOQAFPNNDA-UHFFFAOYSA-M
XLogP1.52
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetraethylazanium;2,2,3,3-tetrafluoropropanoate?
The IUPAC name of tetraethylazanium;2,2,3,3-tetrafluoropropanoate (CID 23374836) is tetraethylazanium;2,2,3,3-tetrafluoropropanoate.
What is the SMILES notation for tetraethylazanium;2,2,3,3-tetrafluoropropanoate?
The canonical SMILES for tetraethylazanium;2,2,3,3-tetrafluoropropanoate is CC[N+](CC)(CC)CC.O=C([O-])C(F)(F)C(F)F.
What is the InChIKey of tetraethylazanium;2,2,3,3-tetrafluoropropanoate?
The InChIKey is BAAVWOQAFPNNDA-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20N.C3H2F4O2/c1-5-9(6-2,7-3)8-4;4-1(5)3(6,7)2(8)9/h5-8H2,1-4H3;1H,(H,8,9)/q+1;/p-1.
What are the key properties of tetraethylazanium;2,2,3,3-tetrafluoropropanoate?
tetraethylazanium;2,2,3,3-tetrafluoropropanoate has a molecular weight of 275.29 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethylazanium;2,2,3,3-tetrafluoropropanoate is sourced from PubChem (CID 23374836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).