1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]ethanone

C8H6F3NO2 — CID 178156503

IUPAC1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]ethanone
SMILESCC(=O)c1ncc(OC(F)F)cc1F
InChIInChI=1S/C8H6F3NO2/c1-4(13)7-6(9)2-5(3-12-7)14-8(10)11/h2-3,8H,1H3
InChIKeyQMEHDAANECCZEU-UHFFFAOYSA-N
MW205.13 g/mol
LogP2.02
Rot. Bonds3

About 1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]ethanone

1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]ethanone (PubChem CID 178156503) has the molecular formula C8H6F3NO2 and a molecular weight of 205.13 g/mol. Its IUPAC name is 1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]ethanone
PubChem CID178156503
Molecular FormulaC8H6F3NO2
Molecular Weight205.13 g/mol
Exact Mass205.04
IUPAC Name1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]ethanone
SMILESCC(=O)c1ncc(OC(F)F)cc1F
InChIInChI=1S/C8H6F3NO2/c1-4(13)7-6(9)2-5(3-12-7)14-8(10)11/h2-3,8H,1H3
InChIKeyQMEHDAANECCZEU-UHFFFAOYSA-N
XLogP2.02
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]ethanone (CID 178156503) is 1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]ethanone is CC(=O)c1ncc(OC(F)F)cc1F.
What is the InChIKey of 1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]ethanone?
The InChIKey is QMEHDAANECCZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2/c1-4(13)7-6(9)2-5(3-12-7)14-8(10)11/h2-3,8H,1H3.
What are the key properties of 1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]ethanone?
1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]ethanone has a molecular weight of 205.13 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]ethanone is sourced from PubChem (CID 178156503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).