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

C9H8F3NO — CID 147695886

IUPAC5-prop-1-en-2-yl-2-(trifluoromethyl)-1H-pyridin-4-one
SMILESC=C(C)c1c[nH]c(C(F)(F)F)cc1=O
InChIInChI=1S/C9H8F3NO/c1-5(2)6-4-13-8(3-7(6)14)9(10,11)12/h3-4H,1H2,2H3,(H,13,14)
InChIKeyGRWSRVXTLWKFCU-UHFFFAOYSA-N
MW203.16 g/mol
LogP2.43
Rot. Bonds1

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

5-prop-1-en-2-yl-2-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 147695886) has the molecular formula C9H8F3NO and a molecular weight of 203.16 g/mol. Its IUPAC name is 5-prop-1-en-2-yl-2-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name5-prop-1-en-2-yl-2-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID147695886
Molecular FormulaC9H8F3NO
Molecular Weight203.16 g/mol
Exact Mass203.06
IUPAC Name5-prop-1-en-2-yl-2-(trifluoromethyl)-1H-pyridin-4-one
SMILESC=C(C)c1c[nH]c(C(F)(F)F)cc1=O
InChIInChI=1S/C9H8F3NO/c1-5(2)6-4-13-8(3-7(6)14)9(10,11)12/h3-4H,1H2,2H3,(H,13,14)
InChIKeyGRWSRVXTLWKFCU-UHFFFAOYSA-N
XLogP2.43
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-prop-1-en-2-yl-2-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 5-prop-1-en-2-yl-2-(trifluoromethyl)-1H-pyridin-4-one (CID 147695886) is 5-prop-1-en-2-yl-2-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 5-prop-1-en-2-yl-2-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 5-prop-1-en-2-yl-2-(trifluoromethyl)-1H-pyridin-4-one is C=C(C)c1c[nH]c(C(F)(F)F)cc1=O.
What is the InChIKey of 5-prop-1-en-2-yl-2-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is GRWSRVXTLWKFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO/c1-5(2)6-4-13-8(3-7(6)14)9(10,11)12/h3-4H,1H2,2H3,(H,13,14).
What are the key properties of 5-prop-1-en-2-yl-2-(trifluoromethyl)-1H-pyridin-4-one?
5-prop-1-en-2-yl-2-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 203.16 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-1-en-2-yl-2-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 147695886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).