3-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]cyclopentan-1-one

C11H11F3N2O — CID 132564078

IUPAC3-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]cyclopentan-1-one
SMILESCc1nc(C2CCC(=O)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H11F3N2O/c1-6-15-9(7-2-3-8(17)4-7)5-10(16-6)11(12,13)14/h5,7H,2-4H2,1H3
InChIKeyJIWCTGXBUODVGD-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.64
Rot. Bonds1

About 3-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]cyclopentan-1-one

3-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]cyclopentan-1-one (PubChem CID 132564078) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 3-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]cyclopentan-1-one.

Molecular Properties

Compound Name3-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]cyclopentan-1-one
PubChem CID132564078
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name3-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]cyclopentan-1-one
SMILESCc1nc(C2CCC(=O)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H11F3N2O/c1-6-15-9(7-2-3-8(17)4-7)5-10(16-6)11(12,13)14/h5,7H,2-4H2,1H3
InChIKeyJIWCTGXBUODVGD-UHFFFAOYSA-N
XLogP2.64
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]cyclopentan-1-one?
The IUPAC name of 3-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]cyclopentan-1-one (CID 132564078) is 3-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]cyclopentan-1-one.
What is the SMILES notation for 3-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]cyclopentan-1-one?
The canonical SMILES for 3-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]cyclopentan-1-one is Cc1nc(C2CCC(=O)C2)cc(C(F)(F)F)n1.
What is the InChIKey of 3-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]cyclopentan-1-one?
The InChIKey is JIWCTGXBUODVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-6-15-9(7-2-3-8(17)4-7)5-10(16-6)11(12,13)14/h5,7H,2-4H2,1H3.
What are the key properties of 3-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]cyclopentan-1-one?
3-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]cyclopentan-1-one has a molecular weight of 244.22 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]cyclopentan-1-one is sourced from PubChem (CID 132564078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).