4-(difluoromethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one

C7H4F5NO2 — CID 118829378

IUPAC4-(difluoromethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1cc(C(F)F)c(OC(F)(F)F)c[nH]1
InChIInChI=1S/C7H4F5NO2/c8-6(9)3-1-5(14)13-2-4(3)15-7(10,11)12/h1-2,6H,(H,13,14)
InChIKeyXELDSIOYIDXYMJ-UHFFFAOYSA-N
MW229.10 g/mol
LogP2.21
Rot. Bonds2

About 4-(difluoromethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one

4-(difluoromethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 118829378) has the molecular formula C7H4F5NO2 and a molecular weight of 229.10 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID118829378
Molecular FormulaC7H4F5NO2
Molecular Weight229.10 g/mol
Exact Mass229.02
IUPAC Name4-(difluoromethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1cc(C(F)F)c(OC(F)(F)F)c[nH]1
InChIInChI=1S/C7H4F5NO2/c8-6(9)3-1-5(14)13-2-4(3)15-7(10,11)12/h1-2,6H,(H,13,14)
InChIKeyXELDSIOYIDXYMJ-UHFFFAOYSA-N
XLogP2.21
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.10
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(difluoromethoxy)pyridin-2(1H)-one
CID 14665037
5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one
CID 14665040
5-(1,1,2,2-Tetrafluoroethoxy)pyridin-2-ol
CID 14665038
3-Fluoro-5-(1,1,2,2-tetrafluoroethoxy)-2-pyridinol
CID 14837014
3(2H)-Isoquinolinone, 7-(trifluoromethoxy)-
CID 67520444
3-fluoro-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 90752796
5-(Trifluoromethoxy)pyridin-2-ol
CID 91256805
5-(difluoromethoxy)-3-methyl-1H-pyridin-2-one
CID 126730864
[4-(difluoromethyl)-6-oxo-1H-pyridin-3-yl] formate
CID 141654431
2-Hydroxy-4-methoxy-5-(trifluoromethyl)pyridine
CID 118704356
4-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 118800768
4-(Difluoromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridin-2-ol
CID 118801357

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one (CID 118829378) is 4-(difluoromethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one is O=c1cc(C(F)F)c(OC(F)(F)F)c[nH]1.
What is the InChIKey of 4-(difluoromethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is XELDSIOYIDXYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5NO2/c8-6(9)3-1-5(14)13-2-4(3)15-7(10,11)12/h1-2,6H,(H,13,14).
What are the key properties of 4-(difluoromethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one?
4-(difluoromethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 229.10 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 118829378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).