1-methyl-5-(trifluoromethyl)-3,4-dihydropyridin-2-one

C7H8F3NO — CID 162568387

IUPAC1-methyl-5-(trifluoromethyl)-3,4-dihydropyridin-2-one
SMILESCN1C=C(C(F)(F)F)CCC1=O
InChIInChI=1S/C7H8F3NO/c1-11-4-5(7(8,9)10)2-3-6(11)12/h4H,2-3H2,1H3
InChIKeyADPXGOVVDDEZLX-UHFFFAOYSA-N
MW179.14 g/mol
LogP1.68
Rot. Bonds

About 1-methyl-5-(trifluoromethyl)-3,4-dihydropyridin-2-one

1-methyl-5-(trifluoromethyl)-3,4-dihydropyridin-2-one (PubChem CID 162568387) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is 1-methyl-5-(trifluoromethyl)-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-(trifluoromethyl)-3,4-dihydropyridin-2-one
PubChem CID162568387
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name1-methyl-5-(trifluoromethyl)-3,4-dihydropyridin-2-one
SMILESCN1C=C(C(F)(F)F)CCC1=O
InChIInChI=1S/C7H8F3NO/c1-11-4-5(7(8,9)10)2-3-6(11)12/h4H,2-3H2,1H3
InChIKeyADPXGOVVDDEZLX-UHFFFAOYSA-N
XLogP1.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(trifluoromethyl)-3,4-dihydropyridin-2-one?
The IUPAC name of 1-methyl-5-(trifluoromethyl)-3,4-dihydropyridin-2-one (CID 162568387) is 1-methyl-5-(trifluoromethyl)-3,4-dihydropyridin-2-one.
What is the SMILES notation for 1-methyl-5-(trifluoromethyl)-3,4-dihydropyridin-2-one?
The canonical SMILES for 1-methyl-5-(trifluoromethyl)-3,4-dihydropyridin-2-one is CN1C=C(C(F)(F)F)CCC1=O.
What is the InChIKey of 1-methyl-5-(trifluoromethyl)-3,4-dihydropyridin-2-one?
The InChIKey is ADPXGOVVDDEZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c1-11-4-5(7(8,9)10)2-3-6(11)12/h4H,2-3H2,1H3.
What are the key properties of 1-methyl-5-(trifluoromethyl)-3,4-dihydropyridin-2-one?
1-methyl-5-(trifluoromethyl)-3,4-dihydropyridin-2-one has a molecular weight of 179.14 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(trifluoromethyl)-3,4-dihydropyridin-2-one is sourced from PubChem (CID 162568387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).