6-propan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one

C9H10F3NO — CID 106517869

IUPAC6-propan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC(C)c1cc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C9H10F3NO/c1-5(2)7-3-6(9(10,11)12)4-8(14)13-7/h3-5H,1-2H3,(H,13,14)
InChIKeyYWYNSEZQHQZOPE-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.52
Rot. Bonds1

About 6-propan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one

6-propan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 106517869) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 6-propan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-propan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID106517869
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name6-propan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC(C)c1cc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C9H10F3NO/c1-5(2)7-3-6(9(10,11)12)4-8(14)13-7/h3-5H,1-2H3,(H,13,14)
InChIKeyYWYNSEZQHQZOPE-UHFFFAOYSA-N
XLogP2.52
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-propan-2-yl-4-(trifluoromethyl)-1H-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 6-propan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-propan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one (CID 106517869) is 6-propan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-propan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-propan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one is CC(C)c1cc(C(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 6-propan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is YWYNSEZQHQZOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-5(2)7-3-6(9(10,11)12)4-8(14)13-7/h3-5H,1-2H3,(H,13,14).
What are the key properties of 6-propan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one?
6-propan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 205.18 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 106517869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).