1-[2-(9H-fluoren-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one

C21H14F3NO2 — CID 39040310

IUPAC1-[2-(9H-fluoren-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)c1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C21H14F3NO2/c22-21(23,24)18-6-3-9-25(20(18)27)12-19(26)15-8-7-14-10-13-4-1-2-5-16(13)17(14)11-15/h1-9,11H,10,12H2
InChIKeyLLIPGAMWJOTOGE-UHFFFAOYSA-N
MW369.34 g/mol
LogP4.32
Rot. Bonds3

About 1-[2-(9H-fluoren-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one

1-[2-(9H-fluoren-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one (PubChem CID 39040310) has the molecular formula C21H14F3NO2 and a molecular weight of 369.34 g/mol. Its IUPAC name is 1-[2-(9H-fluoren-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(9H-fluoren-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
PubChem CID39040310
Molecular FormulaC21H14F3NO2
Molecular Weight369.34 g/mol
Exact Mass369.10
IUPAC Name1-[2-(9H-fluoren-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)c1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C21H14F3NO2/c22-21(23,24)18-6-3-9-25(20(18)27)12-19(26)15-8-7-14-10-13-4-1-2-5-16(13)17(14)11-15/h1-9,11H,10,12H2
InChIKeyLLIPGAMWJOTOGE-UHFFFAOYSA-N
XLogP4.32
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(9H-fluoren-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-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-(9H-fluoren-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(9H-fluoren-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one (CID 39040310) is 1-[2-(9H-fluoren-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(9H-fluoren-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(9H-fluoren-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one is O=C(Cn1cccc(C(F)(F)F)c1=O)c1ccc2c(c1)-c1ccccc1C2.
What is the InChIKey of 1-[2-(9H-fluoren-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is LLIPGAMWJOTOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3NO2/c22-21(23,24)18-6-3-9-25(20(18)27)12-19(26)15-8-7-14-10-13-4-1-2-5-16(13)17(14)11-15/h1-9,11H,10,12H2.
What are the key properties of 1-[2-(9H-fluoren-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
1-[2-(9H-fluoren-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 369.34 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(9H-fluoren-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 39040310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).