1-[(2R)-2-hydroxypropyl]-6-(trifluoromethyl)pyridin-2-one

C9H10F3NO2 — CID 103935447

IUPAC1-[(2R)-2-hydroxypropyl]-6-(trifluoromethyl)pyridin-2-one
SMILESC[C@@H](O)Cn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C9H10F3NO2/c1-6(14)5-13-7(9(10,11)12)3-2-4-8(13)15/h2-4,6,14H,5H2,1H3/t6-/m1/s1
InChIKeyXVANLFNJXQFLLG-ZCFIWIBFSA-N
MW221.18 g/mol
LogP1.25
Rot. Bonds2

About 1-[(2R)-2-hydroxypropyl]-6-(trifluoromethyl)pyridin-2-one

1-[(2R)-2-hydroxypropyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 103935447) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxypropyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(2R)-2-hydroxypropyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID103935447
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name1-[(2R)-2-hydroxypropyl]-6-(trifluoromethyl)pyridin-2-one
SMILESC[C@@H](O)Cn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C9H10F3NO2/c1-6(14)5-13-7(9(10,11)12)3-2-4-8(13)15/h2-4,6,14H,5H2,1H3/t6-/m1/s1
InChIKeyXVANLFNJXQFLLG-ZCFIWIBFSA-N
XLogP1.25
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxypropyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(2R)-2-hydroxypropyl]-6-(trifluoromethyl)pyridin-2-one (CID 103935447) is 1-[(2R)-2-hydroxypropyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(2R)-2-hydroxypropyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(2R)-2-hydroxypropyl]-6-(trifluoromethyl)pyridin-2-one is C[C@@H](O)Cn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 1-[(2R)-2-hydroxypropyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is XVANLFNJXQFLLG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-6(14)5-13-7(9(10,11)12)3-2-4-8(13)15/h2-4,6,14H,5H2,1H3/t6-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxypropyl]-6-(trifluoromethyl)pyridin-2-one?
1-[(2R)-2-hydroxypropyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 221.18 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxypropyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 103935447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).