4-(fluoromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-one

C8H4F7NO2 — CID 118852288

IUPAC4-(fluoromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(OC(F)(F)F)c(CF)c1C(F)(F)F
InChIInChI=1S/C8H4F7NO2/c9-1-3-4(18-8(13,14)15)2-16-6(17)5(3)7(10,11)12/h2H,1H2,(H,16,17)
InChIKeyOXBFILYMEMEFFG-UHFFFAOYSA-N
MW279.11 g/mol
LogP2.76
Rot. Bonds2

About 4-(fluoromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-one

4-(fluoromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 118852288) has the molecular formula C8H4F7NO2 and a molecular weight of 279.11 g/mol. Its IUPAC name is 4-(fluoromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID118852288
Molecular FormulaC8H4F7NO2
Molecular Weight279.11 g/mol
Exact Mass279.01
IUPAC Name4-(fluoromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(OC(F)(F)F)c(CF)c1C(F)(F)F
InChIInChI=1S/C8H4F7NO2/c9-1-3-4(18-8(13,14)15)2-16-6(17)5(3)7(10,11)12/h2H,1H2,(H,16,17)
InChIKeyOXBFILYMEMEFFG-UHFFFAOYSA-N
XLogP2.76
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.11
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-(fluoromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-one (CID 118852288) is 4-(fluoromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(fluoromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]cc(OC(F)(F)F)c(CF)c1C(F)(F)F.
What is the InChIKey of 4-(fluoromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is OXBFILYMEMEFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F7NO2/c9-1-3-4(18-8(13,14)15)2-16-6(17)5(3)7(10,11)12/h2H,1H2,(H,16,17).
What are the key properties of 4-(fluoromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-one?
4-(fluoromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 279.11 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118852288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).