3-(difluoromethoxy)-1-octan-3-ylpyridin-2-one

C14H21F2NO2 — CID 175619823

IUPAC3-(difluoromethoxy)-1-octan-3-ylpyridin-2-one
SMILESCCCCCC(CC)n1cccc(OC(F)F)c1=O
InChIInChI=1S/C14H21F2NO2/c1-3-5-6-8-11(4-2)17-10-7-9-12(13(17)18)19-14(15)16/h7,9-11,14H,3-6,8H2,1-2H3
InChIKeyWWGHZURYDBBWHR-UHFFFAOYSA-N
MW273.32 g/mol
LogP3.98
Rot. Bonds8

About 3-(difluoromethoxy)-1-octan-3-ylpyridin-2-one

3-(difluoromethoxy)-1-octan-3-ylpyridin-2-one (PubChem CID 175619823) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is 3-(difluoromethoxy)-1-octan-3-ylpyridin-2-one.

Molecular Properties

Compound Name3-(difluoromethoxy)-1-octan-3-ylpyridin-2-one
PubChem CID175619823
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC Name3-(difluoromethoxy)-1-octan-3-ylpyridin-2-one
SMILESCCCCCC(CC)n1cccc(OC(F)F)c1=O
InChIInChI=1S/C14H21F2NO2/c1-3-5-6-8-11(4-2)17-10-7-9-12(13(17)18)19-14(15)16/h7,9-11,14H,3-6,8H2,1-2H3
InChIKeyWWGHZURYDBBWHR-UHFFFAOYSA-N
XLogP3.98
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-1-octan-3-ylpyridin-2-one?
The IUPAC name of 3-(difluoromethoxy)-1-octan-3-ylpyridin-2-one (CID 175619823) is 3-(difluoromethoxy)-1-octan-3-ylpyridin-2-one.
What is the SMILES notation for 3-(difluoromethoxy)-1-octan-3-ylpyridin-2-one?
The canonical SMILES for 3-(difluoromethoxy)-1-octan-3-ylpyridin-2-one is CCCCCC(CC)n1cccc(OC(F)F)c1=O.
What is the InChIKey of 3-(difluoromethoxy)-1-octan-3-ylpyridin-2-one?
The InChIKey is WWGHZURYDBBWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-3-5-6-8-11(4-2)17-10-7-9-12(13(17)18)19-14(15)16/h7,9-11,14H,3-6,8H2,1-2H3.
What are the key properties of 3-(difluoromethoxy)-1-octan-3-ylpyridin-2-one?
3-(difluoromethoxy)-1-octan-3-ylpyridin-2-one has a molecular weight of 273.32 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-1-octan-3-ylpyridin-2-one is sourced from PubChem (CID 175619823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).