4-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one

C7H4F5NO2 — CID 118823904

IUPAC4-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]ccc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C7H4F5NO2/c8-5(9)3-1-2-13-6(14)4(3)15-7(10,11)12/h1-2,5H,(H,13,14)
InChIKeyJSHKTWVEPGOIAQ-UHFFFAOYSA-N
MW229.10 g/mol
LogP2.21
Rot. Bonds2

About 4-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one

4-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 118823904) has the molecular formula C7H4F5NO2 and a molecular weight of 229.10 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID118823904
Molecular FormulaC7H4F5NO2
Molecular Weight229.10 g/mol
Exact Mass229.02
IUPAC Name4-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]ccc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C7H4F5NO2/c8-5(9)3-1-2-13-6(14)4(3)15-7(10,11)12/h1-2,5H,(H,13,14)
InChIKeyJSHKTWVEPGOIAQ-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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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one (CID 118823904) is 4-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one is O=c1[nH]ccc(C(F)F)c1OC(F)(F)F.
What is the InChIKey of 4-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is JSHKTWVEPGOIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5NO2/c8-5(9)3-1-2-13-6(14)4(3)15-7(10,11)12/h1-2,5H,(H,13,14).
What are the key properties of 4-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one?
4-(difluoromethyl)-3-(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)-3-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 118823904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).