2-(2-ethoxy-5-fluorobenzoyl)oxyethyl-diethylazanium chloride

C15H23ClFNO3 — CID 19681

IUPAC2-(2-ethoxy-5-fluorobenzoyl)oxyethyl-diethylazanium chloride
SMILESCCOc1ccc(F)cc1C(=O)OCC[NH+](CC)CC.[Cl-]
InChIInChI=1S/C15H22FNO3.ClH/c1-4-17(5-2)9-10-20-15(18)13-11-12(16)7-8-14(13)19-6-3;/h7-8,11H,4-6,9-10H2,1-3H3;1H
InChIKeyFOWVFQXCESRBPI-UHFFFAOYSA-N
MW319.80 g/mol
LogP-1.69
Rot. Bonds8

About 2-(2-ethoxy-5-fluorobenzoyl)oxyethyl-diethylazanium chloride

2-(2-ethoxy-5-fluorobenzoyl)oxyethyl-diethylazanium chloride (PubChem CID 19681) has the molecular formula C15H23ClFNO3 and a molecular weight of 319.80 g/mol. Its IUPAC name is 2-(2-ethoxy-5-fluorobenzoyl)oxyethyl-diethylazanium chloride.

Molecular Properties

Compound Name2-(2-ethoxy-5-fluorobenzoyl)oxyethyl-diethylazanium chloride
PubChem CID19681
Molecular FormulaC15H23ClFNO3
Molecular Weight319.80 g/mol
Exact Mass319.14
IUPAC Name2-(2-ethoxy-5-fluorobenzoyl)oxyethyl-diethylazanium chloride
SMILESCCOc1ccc(F)cc1C(=O)OCC[NH+](CC)CC.[Cl-]
InChIInChI=1S/C15H22FNO3.ClH/c1-4-17(5-2)9-10-20-15(18)13-11-12(16)7-8-14(13)19-6-3;/h7-8,11H,4-6,9-10H2,1-3H3;1H
InChIKeyFOWVFQXCESRBPI-UHFFFAOYSA-N
XLogP-1.69
TPSA39.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 5-1.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-5-fluorobenzoyl)oxyethyl-diethylazanium chloride?
The IUPAC name of 2-(2-ethoxy-5-fluorobenzoyl)oxyethyl-diethylazanium chloride (CID 19681) is 2-(2-ethoxy-5-fluorobenzoyl)oxyethyl-diethylazanium chloride.
What is the SMILES notation for 2-(2-ethoxy-5-fluorobenzoyl)oxyethyl-diethylazanium chloride?
The canonical SMILES for 2-(2-ethoxy-5-fluorobenzoyl)oxyethyl-diethylazanium chloride is CCOc1ccc(F)cc1C(=O)OCC[NH+](CC)CC.[Cl-].
What is the InChIKey of 2-(2-ethoxy-5-fluorobenzoyl)oxyethyl-diethylazanium chloride?
The InChIKey is FOWVFQXCESRBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3.ClH/c1-4-17(5-2)9-10-20-15(18)13-11-12(16)7-8-14(13)19-6-3;/h7-8,11H,4-6,9-10H2,1-3H3;1H.
What are the key properties of 2-(2-ethoxy-5-fluorobenzoyl)oxyethyl-diethylazanium chloride?
2-(2-ethoxy-5-fluorobenzoyl)oxyethyl-diethylazanium chloride has a molecular weight of 319.80 g/mol, XLogP of -1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-5-fluorobenzoyl)oxyethyl-diethylazanium chloride is sourced from PubChem (CID 19681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).