(2-ethoxy-3-fluoropropyl)-trimethylazanium

C8H19FNO+ — CID 87170088

IUPAC(2-ethoxy-3-fluoropropyl)-trimethylazanium
SMILESCCOC(CF)C[N+](C)(C)C
InChIInChI=1S/C8H19FNO/c1-5-11-8(6-9)7-10(2,3)4/h8H,5-7H2,1-4H3/q+1
InChIKeyXVMJFOANXKRVDG-UHFFFAOYSA-N
MW164.24 g/mol
LogP1.07
Rot. Bonds5

About (2-ethoxy-3-fluoropropyl)-trimethylazanium

(2-ethoxy-3-fluoropropyl)-trimethylazanium (PubChem CID 87170088) has the molecular formula C8H19FNO+ and a molecular weight of 164.24 g/mol. Its IUPAC name is (2-ethoxy-3-fluoropropyl)-trimethylazanium.

Molecular Properties

Compound Name(2-ethoxy-3-fluoropropyl)-trimethylazanium
PubChem CID87170088
Molecular FormulaC8H19FNO+
Molecular Weight164.24 g/mol
Exact Mass164.14
IUPAC Name(2-ethoxy-3-fluoropropyl)-trimethylazanium
SMILESCCOC(CF)C[N+](C)(C)C
InChIInChI=1S/C8H19FNO/c1-5-11-8(6-9)7-10(2,3)4/h8H,5-7H2,1-4H3/q+1
InChIKeyXVMJFOANXKRVDG-UHFFFAOYSA-N
XLogP1.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.24
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-3-fluoropropyl)-trimethylazanium?
The IUPAC name of (2-ethoxy-3-fluoropropyl)-trimethylazanium (CID 87170088) is (2-ethoxy-3-fluoropropyl)-trimethylazanium.
What is the SMILES notation for (2-ethoxy-3-fluoropropyl)-trimethylazanium?
The canonical SMILES for (2-ethoxy-3-fluoropropyl)-trimethylazanium is CCOC(CF)C[N+](C)(C)C.
What is the InChIKey of (2-ethoxy-3-fluoropropyl)-trimethylazanium?
The InChIKey is XVMJFOANXKRVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19FNO/c1-5-11-8(6-9)7-10(2,3)4/h8H,5-7H2,1-4H3/q+1.
What are the key properties of (2-ethoxy-3-fluoropropyl)-trimethylazanium?
(2-ethoxy-3-fluoropropyl)-trimethylazanium has a molecular weight of 164.24 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-3-fluoropropyl)-trimethylazanium is sourced from PubChem (CID 87170088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).