5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one

C8H5F6NO2 — CID 14665040

IUPAC5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one
SMILESO=c1ccc(OC(F)(F)C(F)C(F)(F)F)c[nH]1
InChIInChI=1S/C8H5F6NO2/c9-6(7(10,11)12)8(13,14)17-4-1-2-5(16)15-3-4/h1-3,6H,(H,15,16)
InChIKeyIZUFZEKGWDZGIQ-UHFFFAOYSA-N
MW261.12 g/mol
LogP2.25
Rot. Bonds3

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

5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one (PubChem CID 14665040) has the molecular formula C8H5F6NO2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one
PubChem CID14665040
Molecular FormulaC8H5F6NO2
Molecular Weight261.12 g/mol
Exact Mass261.02
IUPAC Name5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one
SMILESO=c1ccc(OC(F)(F)C(F)C(F)(F)F)c[nH]1
InChIInChI=1S/C8H5F6NO2/c9-6(7(10,11)12)8(13,14)17-4-1-2-5(16)15-3-4/h1-3,6H,(H,15,16)
InChIKeyIZUFZEKGWDZGIQ-UHFFFAOYSA-N
XLogP2.25
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
3-Chloro-5-(1,1,2,2-tetrafluoro-ethoxy)-pyridin-2-ol
CID 14665042
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-(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
5-(fluoromethoxy)-1H-pyridin-2-one
CID 141503117
4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridin-2-one
CID 145437205

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one?
The IUPAC name of 5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one (CID 14665040) is 5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one.
What is the SMILES notation for 5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one?
The canonical SMILES for 5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one is O=c1ccc(OC(F)(F)C(F)C(F)(F)F)c[nH]1.
What is the InChIKey of 5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one?
The InChIKey is IZUFZEKGWDZGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6NO2/c9-6(7(10,11)12)8(13,14)17-4-1-2-5(16)15-3-4/h1-3,6H,(H,15,16).
What are the key properties of 5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one?
5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one has a molecular weight of 261.12 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one is sourced from PubChem (CID 14665040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).