5-pentan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one

C11H14F3NO — CID 163237946

IUPAC5-pentan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCCCC(C)c1c[nH]c(=O)cc1C(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-3-4-7(2)8-6-15-10(16)5-9(8)11(12,13)14/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyHBRSOBQDYYPZSR-UHFFFAOYSA-N
MW233.23 g/mol
LogP3.30
Rot. Bonds3

About 5-pentan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one

5-pentan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 163237946) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 5-pentan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-pentan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID163237946
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name5-pentan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCCCC(C)c1c[nH]c(=O)cc1C(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-3-4-7(2)8-6-15-10(16)5-9(8)11(12,13)14/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyHBRSOBQDYYPZSR-UHFFFAOYSA-N
XLogP3.30
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-pentan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-pentan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one (CID 163237946) is 5-pentan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-pentan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-pentan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one is CCCC(C)c1c[nH]c(=O)cc1C(F)(F)F.
What is the InChIKey of 5-pentan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is HBRSOBQDYYPZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-3-4-7(2)8-6-15-10(16)5-9(8)11(12,13)14/h5-7H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 5-pentan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one?
5-pentan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 233.23 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 163237946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).