2-cyclobutyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone

C12H12F3NO — CID 103168174

IUPAC2-cyclobutyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESO=C(CC1CCC1)c1cnccc1C(F)(F)F
InChIInChI=1S/C12H12F3NO/c13-12(14,15)10-4-5-16-7-9(10)11(17)6-8-2-1-3-8/h4-5,7-8H,1-3,6H2
InChIKeyLRWYJQYOEPLAGX-UHFFFAOYSA-N
MW243.23 g/mol
LogP3.47
Rot. Bonds3

About 2-cyclobutyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone

2-cyclobutyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone (PubChem CID 103168174) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-cyclobutyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name2-cyclobutyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
PubChem CID103168174
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name2-cyclobutyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESO=C(CC1CCC1)c1cnccc1C(F)(F)F
InChIInChI=1S/C12H12F3NO/c13-12(14,15)10-4-5-16-7-9(10)11(17)6-8-2-1-3-8/h4-5,7-8H,1-3,6H2
InChIKeyLRWYJQYOEPLAGX-UHFFFAOYSA-N
XLogP3.47
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-cyclobutyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102709315
(4-propylcyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707627
2-(2-fluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707559
2-(4-methylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707574
(3-methyloxolan-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709614
ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 142909767
N'-(cyclohexanecarbonyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide
CID 5078683
2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102709433
3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one
CID 102709606
3-amino-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-one
CID 102709471
2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707747

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone?
The IUPAC name of 2-cyclobutyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone (CID 103168174) is 2-cyclobutyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 2-cyclobutyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone?
The canonical SMILES for 2-cyclobutyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone is O=C(CC1CCC1)c1cnccc1C(F)(F)F.
What is the InChIKey of 2-cyclobutyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone?
The InChIKey is LRWYJQYOEPLAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c13-12(14,15)10-4-5-16-7-9(10)11(17)6-8-2-1-3-8/h4-5,7-8H,1-3,6H2.
What are the key properties of 2-cyclobutyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone?
2-cyclobutyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone has a molecular weight of 243.23 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 103168174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).