1-[2-(trifluoromethoxy)ethyl]pyridin-2-one

C8H8F3NO2 — CID 116618450

IUPAC1-[2-(trifluoromethoxy)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCOC(F)(F)F
InChIInChI=1S/C8H8F3NO2/c9-8(10,11)14-6-5-12-4-2-1-3-7(12)13/h1-4H,5-6H2
InChIKeyYAWBWJKQUUKNJV-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.38
Rot. Bonds3

About 1-[2-(trifluoromethoxy)ethyl]pyridin-2-one

1-[2-(trifluoromethoxy)ethyl]pyridin-2-one (PubChem CID 116618450) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is 1-[2-(trifluoromethoxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(trifluoromethoxy)ethyl]pyridin-2-one
PubChem CID116618450
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name1-[2-(trifluoromethoxy)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCOC(F)(F)F
InChIInChI=1S/C8H8F3NO2/c9-8(10,11)14-6-5-12-4-2-1-3-7(12)13/h1-4H,5-6H2
InChIKeyYAWBWJKQUUKNJV-UHFFFAOYSA-N
XLogP1.38
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethoxy)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(trifluoromethoxy)ethyl]pyridin-2-one (CID 116618450) is 1-[2-(trifluoromethoxy)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(trifluoromethoxy)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(trifluoromethoxy)ethyl]pyridin-2-one is O=c1ccccn1CCOC(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethoxy)ethyl]pyridin-2-one?
The InChIKey is YAWBWJKQUUKNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c9-8(10,11)14-6-5-12-4-2-1-3-7(12)13/h1-4H,5-6H2.
What are the key properties of 1-[2-(trifluoromethoxy)ethyl]pyridin-2-one?
1-[2-(trifluoromethoxy)ethyl]pyridin-2-one has a molecular weight of 207.15 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 116618450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).