4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-1H-pyridin-2-one

C8H8F3NO2 — CID 162558728

IUPAC4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-1H-pyridin-2-one
SMILESC[C@@H](Oc1cc[nH]c(=O)c1)C(F)(F)F
InChIInChI=1S/C8H8F3NO2/c1-5(8(9,10)11)14-6-2-3-12-7(13)4-6/h2-5H,1H3,(H,12,13)/t5-/m1/s1
InChIKeyRLKWKRLPDRFMSE-RXMQYKEDSA-N
MW207.15 g/mol
LogP1.70
Rot. Bonds2

About 4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-1H-pyridin-2-one

4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-1H-pyridin-2-one (PubChem CID 162558728) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is 4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-1H-pyridin-2-one
PubChem CID162558728
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-1H-pyridin-2-one
SMILESC[C@@H](Oc1cc[nH]c(=O)c1)C(F)(F)F
InChIInChI=1S/C8H8F3NO2/c1-5(8(9,10)11)14-6-2-3-12-7(13)4-6/h2-5H,1H3,(H,12,13)/t5-/m1/s1
InChIKeyRLKWKRLPDRFMSE-RXMQYKEDSA-N
XLogP1.70
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methoxypyridin-2(1H)-one
CID 817715
3-fluoro-4-methoxy-1H-pyridin-2-one
CID 91568331
4-[2,3,3,3-tetrafluoro-2-(fluoromethyl)propoxy]-1H-pyridin-2-one
CID 138628379
4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridin-2-one
CID 145437205
4-(2,2-difluoropropoxy)-1H-pyridin-2-one
CID 149530046
4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
CID 153651082
4-(Trifluoromethoxy)pyridin-2-ol
CID 119031056
(2Z)-3-methoxy-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide
CID 147564539
5-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
CID 153991771
4-[(2E,4E)-2-methyl-5-(trifluoromethyl)hepta-2,4-dien-6-ynoxy]-1H-pyridin-2-one
CID 162560217
3-Fluoro-5-isopropoxypyridin-2-ol
CID 168068855
4-ethoxy-1H-pyridin-2-one
CID 817729

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-1H-pyridin-2-one?
The IUPAC name of 4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-1H-pyridin-2-one (CID 162558728) is 4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-1H-pyridin-2-one.
What is the SMILES notation for 4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-1H-pyridin-2-one?
The canonical SMILES for 4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-1H-pyridin-2-one is C[C@@H](Oc1cc[nH]c(=O)c1)C(F)(F)F.
What is the InChIKey of 4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-1H-pyridin-2-one?
The InChIKey is RLKWKRLPDRFMSE-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H8F3NO2/c1-5(8(9,10)11)14-6-2-3-12-7(13)4-6/h2-5H,1H3,(H,12,13)/t5-/m1/s1.
What are the key properties of 4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-1H-pyridin-2-one?
4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-1H-pyridin-2-one has a molecular weight of 207.15 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-1H-pyridin-2-one is sourced from PubChem (CID 162558728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).