triethyl-[2-(4-fluorophenyl)-2-oxoethyl]azanium

C14H21FNO+ — CID 19862916

IUPACtriethyl-[2-(4-fluorophenyl)-2-oxoethyl]azanium
SMILESCC[N+](CC)(CC)CC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H21FNO/c1-4-16(5-2,6-3)11-14(17)12-7-9-13(15)10-8-12/h7-10H,4-6,11H2,1-3H3/q+1
InChIKeyWLJWFMVJPULFJV-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.88
Rot. Bonds6

About triethyl-[2-(4-fluorophenyl)-2-oxoethyl]azanium

triethyl-[2-(4-fluorophenyl)-2-oxoethyl]azanium (PubChem CID 19862916) has the molecular formula C14H21FNO+ and a molecular weight of 238.33 g/mol. Its IUPAC name is triethyl-[2-(4-fluorophenyl)-2-oxoethyl]azanium.

Molecular Properties

Compound Nametriethyl-[2-(4-fluorophenyl)-2-oxoethyl]azanium
PubChem CID19862916
Molecular FormulaC14H21FNO+
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Nametriethyl-[2-(4-fluorophenyl)-2-oxoethyl]azanium
SMILESCC[N+](CC)(CC)CC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H21FNO/c1-4-16(5-2,6-3)11-14(17)12-7-9-13(15)10-8-12/h7-10H,4-6,11H2,1-3H3/q+1
InChIKeyWLJWFMVJPULFJV-UHFFFAOYSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.88
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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Related Compounds

triethyl-[2-oxo-2-[4-[4-[2-(triethylazaniumyl)acetyl]phenyl]phenyl]ethyl]azanium
CID 90476113
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CID 142999162
S-[2-(4-fluorophenyl)-2-oxoethyl] ethanethioate
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4-ethylsulfanyl-1-(4-fluorophenyl)butan-1-one
CID 43793961
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
1-(4-fluorophenyl)-3-pentylsulfanylpropan-1-one
CID 107752472
1-(4-fluorophenyl)-2-pentylsulfinylethanone
CID 107764510
ethyl 3-(4-fluorophenyl)-3-oxopropanoate;propane
CID 174275035
2-butan-2-yloxy-1-(4-fluorophenyl)ethanone
CID 60902739
1-(4-fluorophenyl)-2-nitrosoethanone
CID 57125570
1-(4-fluorophenyl)-4-methylpent-4-en-1-one
CID 70328582
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738

Frequently Asked Questions

What is the IUPAC name of triethyl-[2-(4-fluorophenyl)-2-oxoethyl]azanium?
The IUPAC name of triethyl-[2-(4-fluorophenyl)-2-oxoethyl]azanium (CID 19862916) is triethyl-[2-(4-fluorophenyl)-2-oxoethyl]azanium.
What is the SMILES notation for triethyl-[2-(4-fluorophenyl)-2-oxoethyl]azanium?
The canonical SMILES for triethyl-[2-(4-fluorophenyl)-2-oxoethyl]azanium is CC[N+](CC)(CC)CC(=O)c1ccc(F)cc1.
What is the InChIKey of triethyl-[2-(4-fluorophenyl)-2-oxoethyl]azanium?
The InChIKey is WLJWFMVJPULFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FNO/c1-4-16(5-2,6-3)11-14(17)12-7-9-13(15)10-8-12/h7-10H,4-6,11H2,1-3H3/q+1.
What are the key properties of triethyl-[2-(4-fluorophenyl)-2-oxoethyl]azanium?
triethyl-[2-(4-fluorophenyl)-2-oxoethyl]azanium has a molecular weight of 238.33 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-(4-fluorophenyl)-2-oxoethyl]azanium is sourced from PubChem (CID 19862916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).