2-propyl-5-(trifluoromethyl)-1H-pyridin-4-one

C9H10F3NO — CID 177015934

IUPAC2-propyl-5-(trifluoromethyl)-1H-pyridin-4-one
SMILESCCCc1cc(=O)c(C(F)(F)F)c[nH]1
InChIInChI=1S/C9H10F3NO/c1-2-3-6-4-8(14)7(5-13-6)9(10,11)12/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyTXWGPNJHFUHGOH-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.35
Rot. Bonds2

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

2-propyl-5-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 177015934) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-propyl-5-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-propyl-5-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID177015934
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name2-propyl-5-(trifluoromethyl)-1H-pyridin-4-one
SMILESCCCc1cc(=O)c(C(F)(F)F)c[nH]1
InChIInChI=1S/C9H10F3NO/c1-2-3-6-4-8(14)7(5-13-6)9(10,11)12/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyTXWGPNJHFUHGOH-UHFFFAOYSA-N
XLogP2.35
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-5-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 2-propyl-5-(trifluoromethyl)-1H-pyridin-4-one (CID 177015934) is 2-propyl-5-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-propyl-5-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-propyl-5-(trifluoromethyl)-1H-pyridin-4-one is CCCc1cc(=O)c(C(F)(F)F)c[nH]1.
What is the InChIKey of 2-propyl-5-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is TXWGPNJHFUHGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-2-3-6-4-8(14)7(5-13-6)9(10,11)12/h4-5H,2-3H2,1H3,(H,13,14).
What are the key properties of 2-propyl-5-(trifluoromethyl)-1H-pyridin-4-one?
2-propyl-5-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 205.18 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 177015934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).