1-(6-ethyl-2-pyridinyl)ethanone;3-fluoro-3-methylpentane;propane

C18H32FNO — CID 167486425

IUPAC1-(6-ethyl-2-pyridinyl)ethanone;3-fluoro-3-methylpentane;propane
SMILESCCC.CCC(C)(F)CC.CCc1cccc(C(C)=O)n1
InChIInChI=1S/C9H11NO.C6H13F.C3H8/c1-3-8-5-4-6-9(10-8)7(2)11;1-4-6(3,7)5-2;1-3-2/h4-6H,3H2,1-2H3;4-5H2,1-3H3;3H2,1-2H3
InChIKeyLFLRQIMRKRRHAF-UHFFFAOYSA-N
MW297.46 g/mol
LogP5.80
Rot. Bonds4

About 1-(6-ethyl-2-pyridinyl)ethanone;3-fluoro-3-methylpentane;propane

1-(6-ethyl-2-pyridinyl)ethanone;3-fluoro-3-methylpentane;propane (PubChem CID 167486425) has the molecular formula C18H32FNO and a molecular weight of 297.46 g/mol. Its IUPAC name is 1-(6-ethyl-2-pyridinyl)ethanone;3-fluoro-3-methylpentane;propane.

Molecular Properties

Compound Name1-(6-ethyl-2-pyridinyl)ethanone;3-fluoro-3-methylpentane;propane
PubChem CID167486425
Molecular FormulaC18H32FNO
Molecular Weight297.46 g/mol
Exact Mass297.25
IUPAC Name1-(6-ethyl-2-pyridinyl)ethanone;3-fluoro-3-methylpentane;propane
SMILESCCC.CCC(C)(F)CC.CCc1cccc(C(C)=O)n1
InChIInChI=1S/C9H11NO.C6H13F.C3H8/c1-3-8-5-4-6-9(10-8)7(2)11;1-4-6(3,7)5-2;1-3-2/h4-6H,3H2,1-2H3;4-5H2,1-3H3;3H2,1-2H3
InChIKeyLFLRQIMRKRRHAF-UHFFFAOYSA-N
XLogP5.80
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.46
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 6-ethylpyridine-2-carboxylate;propane
CID 142320367
1-[6-(2-phenylethyl)-2-pyridinyl]ethanone
CID 102432683
1-[6-[2-(4-butylanilino)ethyl]-2-pyridinyl]ethanone
CID 174893005
1-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]ethanone
CID 143311241
6-ethylpyridine-2-carbothioamide
CID 119094579
1-[6-[(2-fluorophenyl)sulfanylmethyl]-2-pyridinyl]ethanone
CID 143311342
1-[6-(hydroxymethyl)-2-pyridinyl]ethanone;methyl 6-acetylpyridine-2-carboxylate
CID 161351278
6-ethyl-N-[2-(methylamino)ethyl]pyridine-2-carboxamide
CID 21050609
1-[6-[6-[6-[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethanone
CID 86093047
N-(6-ethyl-2-pyridinyl)-N-methylacetamide
CID 138536705
1-(6-diethylphosphanyl-2-pyridinyl)ethanone
CID 174420548
CID 88957229
CID 88957229

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-2-pyridinyl)ethanone;3-fluoro-3-methylpentane;propane?
The IUPAC name of 1-(6-ethyl-2-pyridinyl)ethanone;3-fluoro-3-methylpentane;propane (CID 167486425) is 1-(6-ethyl-2-pyridinyl)ethanone;3-fluoro-3-methylpentane;propane.
What is the SMILES notation for 1-(6-ethyl-2-pyridinyl)ethanone;3-fluoro-3-methylpentane;propane?
The canonical SMILES for 1-(6-ethyl-2-pyridinyl)ethanone;3-fluoro-3-methylpentane;propane is CCC.CCC(C)(F)CC.CCc1cccc(C(C)=O)n1.
What is the InChIKey of 1-(6-ethyl-2-pyridinyl)ethanone;3-fluoro-3-methylpentane;propane?
The InChIKey is LFLRQIMRKRRHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C6H13F.C3H8/c1-3-8-5-4-6-9(10-8)7(2)11;1-4-6(3,7)5-2;1-3-2/h4-6H,3H2,1-2H3;4-5H2,1-3H3;3H2,1-2H3.
What are the key properties of 1-(6-ethyl-2-pyridinyl)ethanone;3-fluoro-3-methylpentane;propane?
1-(6-ethyl-2-pyridinyl)ethanone;3-fluoro-3-methylpentane;propane has a molecular weight of 297.46 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-2-pyridinyl)ethanone;3-fluoro-3-methylpentane;propane is sourced from PubChem (CID 167486425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).