1-phenacyl-3-(trifluoromethyl)pyridin-2-one

C14H10F3NO2 — CID 2746343

IUPAC1-phenacyl-3-(trifluoromethyl)pyridin-2-one
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)c1ccccc1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)11-7-4-8-18(13(11)20)9-12(19)10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyILUKUPNXZXRJDB-UHFFFAOYSA-N
MW281.23 g/mol
LogP2.75
Rot. Bonds3

About 1-phenacyl-3-(trifluoromethyl)pyridin-2-one

1-phenacyl-3-(trifluoromethyl)pyridin-2-one (PubChem CID 2746343) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 1-phenacyl-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-phenacyl-3-(trifluoromethyl)pyridin-2-one
PubChem CID2746343
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name1-phenacyl-3-(trifluoromethyl)pyridin-2-one
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)c1ccccc1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)11-7-4-8-18(13(11)20)9-12(19)10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyILUKUPNXZXRJDB-UHFFFAOYSA-N
XLogP2.75
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenacyl-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-phenacyl-3-(trifluoromethyl)pyridin-2-one (CID 2746343) is 1-phenacyl-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-phenacyl-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-phenacyl-3-(trifluoromethyl)pyridin-2-one is O=C(Cn1cccc(C(F)(F)F)c1=O)c1ccccc1.
What is the InChIKey of 1-phenacyl-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is ILUKUPNXZXRJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-14(16,17)11-7-4-8-18(13(11)20)9-12(19)10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 1-phenacyl-3-(trifluoromethyl)pyridin-2-one?
1-phenacyl-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 281.23 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenacyl-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 2746343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).