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

C8H7F4NO3 — CID 118817367

IUPAC4-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCOc1c(CF)c(OC(F)(F)F)c[nH]c1=O
InChIInChI=1S/C8H7F4NO3/c1-15-6-4(2-9)5(3-13-7(6)14)16-8(10,11)12/h3H,2H2,1H3,(H,13,14)
InChIKeyJERPBOUICOBPHI-UHFFFAOYSA-N
MW241.14 g/mol
LogP1.75
Rot. Bonds3

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

4-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 118817367) has the molecular formula C8H7F4NO3 and a molecular weight of 241.14 g/mol. Its IUPAC name is 4-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID118817367
Molecular FormulaC8H7F4NO3
Molecular Weight241.14 g/mol
Exact Mass241.04
IUPAC Name4-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCOc1c(CF)c(OC(F)(F)F)c[nH]c1=O
InChIInChI=1S/C8H7F4NO3/c1-15-6-4(2-9)5(3-13-7(6)14)16-8(10,11)12/h3H,2H2,1H3,(H,13,14)
InChIKeyJERPBOUICOBPHI-UHFFFAOYSA-N
XLogP1.75
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.14
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hydroxy-3-methoxy-4-(trifluoromethyl)pyridine
CID 118704354
3-methoxy-5-methyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
CID 154508416
4-(Difluoromethyl)-5-methoxy-3-(trifluoromethoxy)pyridin-2-ol
CID 118801175
4-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 118806046
4-(Difluoromethyl)-3,5-dimethoxypyridin-2-ol
CID 118806642
4-(Difluoromethyl)-3-methoxy-5-methylpyridin-2-ol
CID 118806804
4-(Difluoromethyl)-5-methoxypyridine-2,3-diol
CID 118817515
4-(Difluoromethyl)-5-methyl-3-(trifluoromethoxy)pyridin-2-ol
CID 118818112
4-(Difluoromethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-2-ol
CID 118818282
4-(Difluoromethyl)-5-methoxy-3-(trifluoromethyl)pyridin-2-ol
CID 118818291
4-(Difluoromethyl)-3-(trifluoromethoxy)pyridin-2-ol
CID 118823904
4-(Difluoromethyl)-5-fluoro-3-methoxypyridin-2-ol
CID 118823997

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 4-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-1H-pyridin-2-one (CID 118817367) is 4-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 4-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-1H-pyridin-2-one is COc1c(CF)c(OC(F)(F)F)c[nH]c1=O.
What is the InChIKey of 4-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is JERPBOUICOBPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4NO3/c1-15-6-4(2-9)5(3-13-7(6)14)16-8(10,11)12/h3H,2H2,1H3,(H,13,14).
What are the key properties of 4-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-1H-pyridin-2-one?
4-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 241.14 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 118817367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).