1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2-fluoro-2-methylpropan-1-one

C11H18FNO — CID 130765995

IUPAC1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2-fluoro-2-methylpropan-1-one
SMILESCC1=C(C)CN(C(=O)C(C)(C)F)CC1
InChIInChI=1S/C11H18FNO/c1-8-5-6-13(7-9(8)2)10(14)11(3,4)12/h5-7H2,1-4H3
InChIKeyJWCDDPCIQFWFOH-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.30
Rot. Bonds1

About 1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2-fluoro-2-methylpropan-1-one

1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2-fluoro-2-methylpropan-1-one (PubChem CID 130765995) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is 1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2-fluoro-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2-fluoro-2-methylpropan-1-one
PubChem CID130765995
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2-fluoro-2-methylpropan-1-one
SMILESCC1=C(C)CN(C(=O)C(C)(C)F)CC1
InChIInChI=1S/C11H18FNO/c1-8-5-6-13(7-9(8)2)10(14)11(3,4)12/h5-7H2,1-4H3
InChIKeyJWCDDPCIQFWFOH-UHFFFAOYSA-N
XLogP2.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 115772182
N,N-dibutyl-3-ethyl-2-(trifluoromethyl)pent-2-enamide
CID 10518823
2,2,2-trifluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 115768355
4,4,4-trifluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 121451616
3,3,3-trifluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 121451628
1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone
CID 131186243
2-fluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)prop-2-en-1-one
CID 137535247
ethane;3,3,3-trifluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 144802145
ethane;4,4,4-trifluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 144802294
ethane;2,2,2-trifluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 155723155
5-Fluoro-1,4-dimethyl-2,3-dihydropyridin-6-one
CID 164045291
1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-fluoroethanone
CID 169895140

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2-fluoro-2-methylpropan-1-one?
The IUPAC name of 1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2-fluoro-2-methylpropan-1-one (CID 130765995) is 1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2-fluoro-2-methylpropan-1-one.
What is the SMILES notation for 1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2-fluoro-2-methylpropan-1-one?
The canonical SMILES for 1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2-fluoro-2-methylpropan-1-one is CC1=C(C)CN(C(=O)C(C)(C)F)CC1.
What is the InChIKey of 1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2-fluoro-2-methylpropan-1-one?
The InChIKey is JWCDDPCIQFWFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO/c1-8-5-6-13(7-9(8)2)10(14)11(3,4)12/h5-7H2,1-4H3.
What are the key properties of 1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2-fluoro-2-methylpropan-1-one?
1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2-fluoro-2-methylpropan-1-one has a molecular weight of 199.27 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2-fluoro-2-methylpropan-1-one is sourced from PubChem (CID 130765995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).