1-propyl-3-(trifluoromethyl)pyridin-2-one

C9H10F3NO — CID 91290615

IUPAC1-propyl-3-(trifluoromethyl)pyridin-2-one
SMILESCCCn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C9H10F3NO/c1-2-5-13-6-3-4-7(8(13)14)9(10,11)12/h3-4,6H,2,5H2,1H3
InChIKeyIOQRYAQZZKSTPI-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.28
Rot. Bonds2

About 1-propyl-3-(trifluoromethyl)pyridin-2-one

1-propyl-3-(trifluoromethyl)pyridin-2-one (PubChem CID 91290615) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 1-propyl-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-propyl-3-(trifluoromethyl)pyridin-2-one
PubChem CID91290615
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name1-propyl-3-(trifluoromethyl)pyridin-2-one
SMILESCCCn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C9H10F3NO/c1-2-5-13-6-3-4-7(8(13)14)9(10,11)12/h3-4,6H,2,5H2,1H3
InChIKeyIOQRYAQZZKSTPI-UHFFFAOYSA-N
XLogP2.28
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-propyl-3-(trifluoromethyl)pyridin-2-one (CID 91290615) is 1-propyl-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-propyl-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-propyl-3-(trifluoromethyl)pyridin-2-one is CCCn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of 1-propyl-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is IOQRYAQZZKSTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-2-5-13-6-3-4-7(8(13)14)9(10,11)12/h3-4,6H,2,5H2,1H3.
What are the key properties of 1-propyl-3-(trifluoromethyl)pyridin-2-one?
1-propyl-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 205.18 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 91290615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).