1-(2-fluoroethyl)-4-methyl-3,4-dihydropyridin-2-one

C8H12FNO — CID 90688878

IUPAC1-(2-fluoroethyl)-4-methyl-3,4-dihydropyridin-2-one
SMILESCC1C=CN(CCF)C(=O)C1
InChIInChI=1S/C8H12FNO/c1-7-2-4-10(5-3-9)8(11)6-7/h2,4,7H,3,5-6H2,1H3
InChIKeyFOMFMLJVLZWQFR-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.34
Rot. Bonds2

About 1-(2-fluoroethyl)-4-methyl-3,4-dihydropyridin-2-one

1-(2-fluoroethyl)-4-methyl-3,4-dihydropyridin-2-one (PubChem CID 90688878) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-methyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-methyl-3,4-dihydropyridin-2-one
PubChem CID90688878
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name1-(2-fluoroethyl)-4-methyl-3,4-dihydropyridin-2-one
SMILESCC1C=CN(CCF)C(=O)C1
InChIInChI=1S/C8H12FNO/c1-7-2-4-10(5-3-9)8(11)6-7/h2,4,7H,3,5-6H2,1H3
InChIKeyFOMFMLJVLZWQFR-UHFFFAOYSA-N
XLogP1.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-fluoroethyl)-4-methyl-3,4-dihydropyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-methyl-3,4-dihydropyridin-2-one?
The IUPAC name of 1-(2-fluoroethyl)-4-methyl-3,4-dihydropyridin-2-one (CID 90688878) is 1-(2-fluoroethyl)-4-methyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 1-(2-fluoroethyl)-4-methyl-3,4-dihydropyridin-2-one?
The canonical SMILES for 1-(2-fluoroethyl)-4-methyl-3,4-dihydropyridin-2-one is CC1C=CN(CCF)C(=O)C1.
What is the InChIKey of 1-(2-fluoroethyl)-4-methyl-3,4-dihydropyridin-2-one?
The InChIKey is FOMFMLJVLZWQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO/c1-7-2-4-10(5-3-9)8(11)6-7/h2,4,7H,3,5-6H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-4-methyl-3,4-dihydropyridin-2-one?
1-(2-fluoroethyl)-4-methyl-3,4-dihydropyridin-2-one has a molecular weight of 157.19 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-methyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 90688878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).