1-(4-fluorophenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanone

C16H17FNO+ — CID 5206342

IUPAC1-(4-fluorophenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanone
SMILESCc1cc(C)[n+](CC(=O)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C16H17FNO/c1-11-8-12(2)18(13(3)9-11)10-16(19)14-4-6-15(17)7-5-14/h4-9H,10H2,1-3H3/q+1
InChIKeyKVUGOCGIEFWKDF-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.92
Rot. Bonds3

About 1-(4-fluorophenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanone

1-(4-fluorophenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanone (PubChem CID 5206342) has the molecular formula C16H17FNO+ and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanone
PubChem CID5206342
Molecular FormulaC16H17FNO+
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name1-(4-fluorophenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanone
SMILESCc1cc(C)[n+](CC(=O)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C16H17FNO/c1-11-8-12(2)18(13(3)9-11)10-16(19)14-4-6-15(17)7-5-14/h4-9H,10H2,1-3H3/q+1
InChIKeyKVUGOCGIEFWKDF-UHFFFAOYSA-N
XLogP2.92
TPSA20.95 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-phenylphenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanone;hydrobromide
CID 126959018
1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 62549306
2-(2,4-dimethyl-1,3-thiazol-3-ium-3-yl)-1-(4-methylphenyl)ethanone
CID 13212730
2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetic acid;hydrochloride
CID 126959342
1-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)ethanone
CID 94281136
1-(4-fluorophenyl)-2-(2-methyl-1H-imidazol-3-ium-3-yl)ethanone
CID 87921184
(3,5-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159976
3-(3,5-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 43793611
2-amino-1-[1-[2-(4-fluorophenyl)-2-oxoethyl]pyridin-1-ium-4-yl]ethanone
CID 170860197
2-(4-acetylpyridin-1-ium-1-yl)-1-(4-fluorophenyl)ethanone
CID 5074635
2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)ethanone
CID 54958156
2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(4-fluorophenyl)ethanone
CID 8865368

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanone (CID 5206342) is 1-(4-fluorophenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanone is Cc1cc(C)[n+](CC(=O)c2ccc(F)cc2)c(C)c1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanone?
The InChIKey is KVUGOCGIEFWKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FNO/c1-11-8-12(2)18(13(3)9-11)10-16(19)14-4-6-15(17)7-5-14/h4-9H,10H2,1-3H3/q+1.
What are the key properties of 1-(4-fluorophenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanone?
1-(4-fluorophenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanone has a molecular weight of 258.32 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanone is sourced from PubChem (CID 5206342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).