2-fluoro-2-methyl-1-piperidin-1-ylpentane-1,4-dione

C11H18FNO2 — CID 159849854

IUPAC2-fluoro-2-methyl-1-piperidin-1-ylpentane-1,4-dione
SMILESCC(=O)CC(C)(F)C(=O)N1CCCCC1
InChIInChI=1S/C11H18FNO2/c1-9(14)8-11(2,12)10(15)13-6-4-3-5-7-13/h3-8H2,1-2H3
InChIKeyJQQFKKZVZVKQTD-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.71
Rot. Bonds3

About 2-fluoro-2-methyl-1-piperidin-1-ylpentane-1,4-dione

2-fluoro-2-methyl-1-piperidin-1-ylpentane-1,4-dione (PubChem CID 159849854) has the molecular formula C11H18FNO2 and a molecular weight of 215.27 g/mol. Its IUPAC name is 2-fluoro-2-methyl-1-piperidin-1-ylpentane-1,4-dione.

Molecular Properties

Compound Name2-fluoro-2-methyl-1-piperidin-1-ylpentane-1,4-dione
PubChem CID159849854
Molecular FormulaC11H18FNO2
Molecular Weight215.27 g/mol
Exact Mass215.13
IUPAC Name2-fluoro-2-methyl-1-piperidin-1-ylpentane-1,4-dione
SMILESCC(=O)CC(C)(F)C(=O)N1CCCCC1
InChIInChI=1S/C11H18FNO2/c1-9(14)8-11(2,12)10(15)13-6-4-3-5-7-13/h3-8H2,1-2H3
InChIKeyJQQFKKZVZVKQTD-UHFFFAOYSA-N
XLogP1.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Acetylpiperidin-1-yl)-2-fluoroethanone
CID 57741728
1-(1-Acetyl-4-fluoropiperidin-4-yl)ethanone
CID 58356032
1-[1-(3,3-Difluorocyclobutanecarbonyl)piperidin-4-yl]ethanone
CID 58356170
1-(4-Fluoropiperidin-1-yl)-3-methylbutane-1,2-dione
CID 89692367
2-Fluoro-2-methyl-1-piperidin-1-ylbutane-1,3-dione
CID 118531118
1-(1-Acetylpiperidin-4-yl)-4,4,4-trifluorobutan-1-one
CID 126758814
1-(4-Fluoropiperidin-1-yl)-3-methylpentane-1,2-dione
CID 130457139
1-(4-Acetylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;ethane
CID 165116730
4-Methyl-1-piperidin-1-ylpentane-1,2-dione
CID 86093438
4-oxo-N,N-dipropyl-4-[3-(trifluoromethyl)piperidin-1-yl]butanamide
CID 53550987
1-[1-(2,2,2-Trifluoroacetyl)piperidin-4-yl]propan-1-one
CID 84473148
4-oxo-N,N-dipropyl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]butanamide
CID 95158301

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-1-piperidin-1-ylpentane-1,4-dione?
The IUPAC name of 2-fluoro-2-methyl-1-piperidin-1-ylpentane-1,4-dione (CID 159849854) is 2-fluoro-2-methyl-1-piperidin-1-ylpentane-1,4-dione.
What is the SMILES notation for 2-fluoro-2-methyl-1-piperidin-1-ylpentane-1,4-dione?
The canonical SMILES for 2-fluoro-2-methyl-1-piperidin-1-ylpentane-1,4-dione is CC(=O)CC(C)(F)C(=O)N1CCCCC1.
What is the InChIKey of 2-fluoro-2-methyl-1-piperidin-1-ylpentane-1,4-dione?
The InChIKey is JQQFKKZVZVKQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO2/c1-9(14)8-11(2,12)10(15)13-6-4-3-5-7-13/h3-8H2,1-2H3.
What are the key properties of 2-fluoro-2-methyl-1-piperidin-1-ylpentane-1,4-dione?
2-fluoro-2-methyl-1-piperidin-1-ylpentane-1,4-dione has a molecular weight of 215.27 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-1-piperidin-1-ylpentane-1,4-dione is sourced from PubChem (CID 159849854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).