5-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one

C9H10F3NO — CID 70811435

IUPAC5-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC(C)c1c[nH]c(=O)c(C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO/c1-5(2)6-3-7(9(10,11)12)8(14)13-4-6/h3-5H,1-2H3,(H,13,14)
InChIKeyQZQYJURWCUEROZ-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.52
Rot. Bonds1

About 5-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one

5-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 70811435) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 5-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID70811435
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name5-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC(C)c1c[nH]c(=O)c(C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO/c1-5(2)6-3-7(9(10,11)12)8(14)13-4-6/h3-5H,1-2H3,(H,13,14)
InChIKeyQZQYJURWCUEROZ-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

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one (CID 70811435) is 5-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one is CC(C)c1c[nH]c(=O)c(C(F)(F)F)c1.
What is the InChIKey of 5-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is QZQYJURWCUEROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-5(2)6-3-7(9(10,11)12)8(14)13-4-6/h3-5H,1-2H3,(H,13,14).
What are the key properties of 5-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one?
5-propan-2-yl-3-(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 5-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 70811435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).