4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridin-2-one

C8H6F5NO2 — CID 145437205

IUPAC4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridin-2-one
SMILESO=c1cc(OCC(F)(F)C(F)(F)F)cc[nH]1
InChIInChI=1S/C8H6F5NO2/c9-7(10,8(11,12)13)4-16-5-1-2-14-6(15)3-5/h1-3H,4H2,(H,14,15)
InChIKeyGQUIPAFUYVARKE-UHFFFAOYSA-N
MW243.13 g/mol
LogP1.95
Rot. Bonds3

About 4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridin-2-one

4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridin-2-one (PubChem CID 145437205) has the molecular formula C8H6F5NO2 and a molecular weight of 243.13 g/mol. Its IUPAC name is 4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridin-2-one
PubChem CID145437205
Molecular FormulaC8H6F5NO2
Molecular Weight243.13 g/mol
Exact Mass243.03
IUPAC Name4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridin-2-one
SMILESO=c1cc(OCC(F)(F)C(F)(F)F)cc[nH]1
InChIInChI=1S/C8H6F5NO2/c9-7(10,8(11,12)13)4-16-5-1-2-14-6(15)3-5/h1-3H,4H2,(H,14,15)
InChIKeyGQUIPAFUYVARKE-UHFFFAOYSA-N
XLogP1.95
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 51.95
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
4-Methoxypyridin-2(1H)-one
CID 817715
5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one
CID 14665040
5-(1,1,2,2-Tetrafluoroethoxy)pyridin-2-ol
CID 14665038
3-Fluoro-5-(1,1,2,2-tetrafluoroethoxy)-2-pyridinol
CID 14837014
5-(Trifluoromethoxy)pyridin-2-ol
CID 91256805
3-fluoro-4-methoxy-1H-pyridin-2-one
CID 91568331
4-[2,3,3,3-tetrafluoro-2-(fluoromethyl)propoxy]-1H-pyridin-2-one
CID 138628379
4-(2,2-difluoropropoxy)-1H-pyridin-2-one
CID 149530046
4-bromo-5-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridin-2-one
CID 153407750
4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
CID 153651082
4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-1H-pyridin-2-one
CID 162558728

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridin-2-one?
The IUPAC name of 4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridin-2-one (CID 145437205) is 4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridin-2-one.
What is the SMILES notation for 4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridin-2-one?
The canonical SMILES for 4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridin-2-one is O=c1cc(OCC(F)(F)C(F)(F)F)cc[nH]1.
What is the InChIKey of 4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridin-2-one?
The InChIKey is GQUIPAFUYVARKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO2/c9-7(10,8(11,12)13)4-16-5-1-2-14-6(15)3-5/h1-3H,4H2,(H,14,15).
What are the key properties of 4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridin-2-one?
4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridin-2-one has a molecular weight of 243.13 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridin-2-one is sourced from PubChem (CID 145437205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).