5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one

C7H5F4NO2 — CID 14665038

IUPAC5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one
SMILESO=c1ccc(OC(F)(F)C(F)F)c[nH]1
InChIInChI=1S/C7H5F4NO2/c8-6(9)7(10,11)14-4-1-2-5(13)12-3-4/h1-3,6H,(H,12,13)
InChIKeyZZHVIDDEHKYTJJ-UHFFFAOYSA-N
MW211.11 g/mol
LogP1.61
Rot. Bonds3

About 5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one

5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one (PubChem CID 14665038) has the molecular formula C7H5F4NO2 and a molecular weight of 211.11 g/mol. Its IUPAC name is 5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one
PubChem CID14665038
Molecular FormulaC7H5F4NO2
Molecular Weight211.11 g/mol
Exact Mass211.03
IUPAC Name5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one
SMILESO=c1ccc(OC(F)(F)C(F)F)c[nH]1
InChIInChI=1S/C7H5F4NO2/c8-6(9)7(10,11)14-4-1-2-5(13)12-3-4/h1-3,6H,(H,12,13)
InChIKeyZZHVIDDEHKYTJJ-UHFFFAOYSA-N
XLogP1.61
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.11
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

5-(difluoromethoxy)pyridin-2(1H)-one
CID 14665037
5-Methoxypyridin-2-ol
CID 12279833
3-Fluoro-5-methoxypyridin-2-ol
CID 91539998
5-(Acetyloxy)-2(1H)-pyridinone
CID 323281
3-Chloro-5-(1,1,2,2-tetrafluoro-ethoxy)-pyridin-2-ol
CID 14665042
5-Ethoxypyridin-2(1H)-one
CID 89406623
5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one
CID 14665040
5-(2-Chloro-1,1,2-trifluoroethoxy)pyridin-2-ol
CID 14665039
3-Fluoro-5-(1,1,2,2-tetrafluoroethoxy)-2-pyridinol
CID 14837014
3-fluoro-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 90752796
5-(Trifluoromethoxy)pyridin-2-ol
CID 91256805
4-[2,3,3,3-tetrafluoro-2-(fluoromethyl)propoxy]-1H-pyridin-2-one
CID 138628379

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one?
The IUPAC name of 5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one (CID 14665038) is 5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one?
The canonical SMILES for 5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one is O=c1ccc(OC(F)(F)C(F)F)c[nH]1.
What is the InChIKey of 5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one?
The InChIKey is ZZHVIDDEHKYTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4NO2/c8-6(9)7(10,11)14-4-1-2-5(13)12-3-4/h1-3,6H,(H,12,13).
What are the key properties of 5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one?
5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one has a molecular weight of 211.11 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 14665038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).