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

C7H4F5NO2 — CID 14837014

IUPAC3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(OC(F)(F)C(F)F)cc1F
InChIInChI=1S/C7H4F5NO2/c8-4-1-3(2-13-5(4)14)15-7(11,12)6(9)10/h1-2,6H,(H,13,14)
InChIKeyWFPNPLBFTCHCQA-UHFFFAOYSA-N
MW229.10 g/mol
LogP1.75
Rot. Bonds3

About 3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one

3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one (PubChem CID 14837014) has the molecular formula C7H4F5NO2 and a molecular weight of 229.10 g/mol. Its IUPAC name is 3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one
PubChem CID14837014
Molecular FormulaC7H4F5NO2
Molecular Weight229.10 g/mol
Exact Mass229.02
IUPAC Name3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(OC(F)(F)C(F)F)cc1F
InChIInChI=1S/C7H4F5NO2/c8-4-1-3(2-13-5(4)14)15-7(11,12)6(9)10/h1-2,6H,(H,13,14)
InChIKeyWFPNPLBFTCHCQA-UHFFFAOYSA-N
XLogP1.75
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.10
LogP ≤ 51.75
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
3-Fluoro-5-methoxypyridin-2-ol
CID 91539998
3-Chloro-5-(1,1,2,2-tetrafluoro-ethoxy)-pyridin-2-ol
CID 14665042
5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one
CID 14665040
3-chloro-5-(difluoromethoxy)-1H-pyridin-2-one
CID 14665041
5-(1,1,2,2-Tetrafluoroethoxy)pyridin-2-ol
CID 14665038
5-(2-Chloro-1,1,2-trifluoroethoxy)pyridin-2-ol
CID 14665039
3-fluoro-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 90752796
5-(Trifluoromethoxy)pyridin-2-ol
CID 91256805
3-chloro-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 91483917
5-(difluoromethoxy)-3-methyl-1H-pyridin-2-one
CID 126730864
5-(fluoromethoxy)-1H-pyridin-2-one
CID 141503117

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one?
The IUPAC name of 3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one (CID 14837014) is 3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one?
The canonical SMILES for 3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one is O=c1[nH]cc(OC(F)(F)C(F)F)cc1F.
What is the InChIKey of 3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one?
The InChIKey is WFPNPLBFTCHCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5NO2/c8-4-1-3(2-13-5(4)14)15-7(11,12)6(9)10/h1-2,6H,(H,13,14).
What are the key properties of 3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one?
3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one has a molecular weight of 229.10 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 14837014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).