5-tert-butyl-4-(trifluoromethyl)-1H-pyridin-2-one

C10H12F3NO — CID 166839491

IUPAC5-tert-butyl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC(C)(C)c1c[nH]c(=O)cc1C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-9(2,3)7-5-14-8(15)4-6(7)10(11,12)13/h4-5H,1-3H3,(H,14,15)
InChIKeyJZKRFCHXJSLRHR-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.69
Rot. Bonds

About 5-tert-butyl-4-(trifluoromethyl)-1H-pyridin-2-one

5-tert-butyl-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 166839491) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 5-tert-butyl-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-tert-butyl-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID166839491
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name5-tert-butyl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC(C)(C)c1c[nH]c(=O)cc1C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-9(2,3)7-5-14-8(15)4-6(7)10(11,12)13/h4-5H,1-3H3,(H,14,15)
InChIKeyJZKRFCHXJSLRHR-UHFFFAOYSA-N
XLogP2.69
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-tert-butyl-4-(trifluoromethyl)-1H-pyridin-2-one (CID 166839491) is 5-tert-butyl-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-tert-butyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-tert-butyl-4-(trifluoromethyl)-1H-pyridin-2-one is CC(C)(C)c1c[nH]c(=O)cc1C(F)(F)F.
What is the InChIKey of 5-tert-butyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is JZKRFCHXJSLRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-9(2,3)7-5-14-8(15)4-6(7)10(11,12)13/h4-5H,1-3H3,(H,14,15).
What are the key properties of 5-tert-butyl-4-(trifluoromethyl)-1H-pyridin-2-one?
5-tert-butyl-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 219.21 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 166839491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).