(3-methyloxolan-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone

C12H12F3NO2 — CID 102709614

IUPAC(3-methyloxolan-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCC1CCOC1C(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C12H12F3NO2/c1-7-3-5-18-11(7)10(17)8-6-16-4-2-9(8)12(13,14)15/h2,4,6-7,11H,3,5H2,1H3
InChIKeyYGDBALCJJYJQEH-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.71
Rot. Bonds2

About (3-methyloxolan-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone

(3-methyloxolan-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 102709614) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is (3-methyloxolan-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3-methyloxolan-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID102709614
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name(3-methyloxolan-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCC1CCOC1C(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C12H12F3NO2/c1-7-3-5-18-11(7)10(17)8-6-16-4-2-9(8)12(13,14)15/h2,4,6-7,11H,3,5H2,1H3
InChIKeyYGDBALCJJYJQEH-UHFFFAOYSA-N
XLogP2.71
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-propylcyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707627
bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
isoquinolin-4-yl-(3-methyloxolan-2-yl)methanone
CID 114971893
ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 142909767
2-cyclobutyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 103168174
4-(trifluoromethyl)-N-trimethylsilylpyridine-3-carboxamide
CID 170555219
N-ethyl-N-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 126497105
(2R,3S)-3-methyl-N-[3-(2-methylpropanoyl)-4-pyridinyl]oxolane-2-carboxamide
CID 124851759
3-methyl-N-[3-(2-methylpropanoyl)-4-pyridinyl]oxolane-2-carboxamide
CID 119045726
[(E)-[1-amino-2-(1,3-dioxepan-2-yl)ethylidene]amino] 4-(trifluoromethyl)pyridine-3-carboxylate
CID 147786276
N-[dimethyl(oxo)-λ6-sulfanylidene]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 59882075
N-[2-(2-methylmorpholin-4-yl)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 138004708

Frequently Asked Questions

What is the IUPAC name of (3-methyloxolan-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (3-methyloxolan-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone (CID 102709614) is (3-methyloxolan-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (3-methyloxolan-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (3-methyloxolan-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone is CC1CCOC1C(=O)c1cnccc1C(F)(F)F.
What is the InChIKey of (3-methyloxolan-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is YGDBALCJJYJQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c1-7-3-5-18-11(7)10(17)8-6-16-4-2-9(8)12(13,14)15/h2,4,6-7,11H,3,5H2,1H3.
What are the key properties of (3-methyloxolan-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
(3-methyloxolan-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 259.23 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxolan-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 102709614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).