1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one

C8H6F3NO2 — CID 6421270

IUPAC1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one
SMILESO=C(Cn1ccccc1=O)C(F)(F)F
InChIInChI=1S/C8H6F3NO2/c9-8(10,11)6(13)5-12-4-2-1-3-7(12)14/h1-4H,5H2
InChIKeySMKMVBLTRUADIR-UHFFFAOYSA-N
MW205.14 g/mol
LogP0.98
Rot. Bonds2

About 1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one

1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one (PubChem CID 6421270) has the molecular formula C8H6F3NO2 and a molecular weight of 205.14 g/mol. Its IUPAC name is 1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one
PubChem CID6421270
Molecular FormulaC8H6F3NO2
Molecular Weight205.14 g/mol
Exact Mass205.04
IUPAC Name1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one
SMILESO=C(Cn1ccccc1=O)C(F)(F)F
InChIInChI=1S/C8H6F3NO2/c9-8(10,11)6(13)5-12-4-2-1-3-7(12)14/h1-4H,5H2
InChIKeySMKMVBLTRUADIR-UHFFFAOYSA-N
XLogP0.98
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one?
The IUPAC name of 1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one (CID 6421270) is 1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one.
What is the SMILES notation for 1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one?
The canonical SMILES for 1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one is O=C(Cn1ccccc1=O)C(F)(F)F.
What is the InChIKey of 1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one?
The InChIKey is SMKMVBLTRUADIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2/c9-8(10,11)6(13)5-12-4-2-1-3-7(12)14/h1-4H,5H2.
What are the key properties of 1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one?
1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one has a molecular weight of 205.14 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one is sourced from PubChem (CID 6421270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).