5-ethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one

C10H12F3NO2 — CID 90227877

IUPAC5-ethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one
SMILESCCc1ccc(=O)n(C[C@@H](O)C(F)(F)F)c1
InChIInChI=1S/C10H12F3NO2/c1-2-7-3-4-9(16)14(5-7)6-8(15)10(11,12)13/h3-5,8,15H,2,6H2,1H3/t8-/m1/s1
InChIKeyWSORVXGLFKUKON-MRVPVSSYSA-N
MW235.20 g/mol
LogP1.33
Rot. Bonds3

About 5-ethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one

5-ethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one (PubChem CID 90227877) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is 5-ethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one.

Molecular Properties

Compound Name5-ethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one
PubChem CID90227877
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC Name5-ethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one
SMILESCCc1ccc(=O)n(C[C@@H](O)C(F)(F)F)c1
InChIInChI=1S/C10H12F3NO2/c1-2-7-3-4-9(16)14(5-7)6-8(15)10(11,12)13/h3-5,8,15H,2,6H2,1H3/t8-/m1/s1
InChIKeyWSORVXGLFKUKON-MRVPVSSYSA-N
XLogP1.33
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one?
The IUPAC name of 5-ethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one (CID 90227877) is 5-ethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one.
What is the SMILES notation for 5-ethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one?
The canonical SMILES for 5-ethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one is CCc1ccc(=O)n(C[C@@H](O)C(F)(F)F)c1.
What is the InChIKey of 5-ethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one?
The InChIKey is WSORVXGLFKUKON-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12F3NO2/c1-2-7-3-4-9(16)14(5-7)6-8(15)10(11,12)13/h3-5,8,15H,2,6H2,1H3/t8-/m1/s1.
What are the key properties of 5-ethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one?
5-ethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one has a molecular weight of 235.20 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one is sourced from PubChem (CID 90227877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).