1-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]ethanone

C8H6F3NO2 — CID 167107554

IUPAC1-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]ethanone
SMILESCC(=O)c1cc(OC(F)F)c(F)cn1
InChIInChI=1S/C8H6F3NO2/c1-4(13)6-2-7(14-8(10)11)5(9)3-12-6/h2-3,8H,1H3
InChIKeyZZJZSWRBBZIAOP-UHFFFAOYSA-N
MW205.13 g/mol
LogP2.02
Rot. Bonds3

About 1-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]ethanone

1-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]ethanone (PubChem CID 167107554) has the molecular formula C8H6F3NO2 and a molecular weight of 205.13 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]ethanone
PubChem CID167107554
Molecular FormulaC8H6F3NO2
Molecular Weight205.13 g/mol
Exact Mass205.04
IUPAC Name1-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]ethanone
SMILESCC(=O)c1cc(OC(F)F)c(F)cn1
InChIInChI=1S/C8H6F3NO2/c1-4(13)6-2-7(14-8(10)11)5(9)3-12-6/h2-3,8H,1H3
InChIKeyZZJZSWRBBZIAOP-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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Related Compounds

4-(difluoromethoxy)-5-fluoropyridine-2-carboxylic acid
CID 121228470
2-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]acetic acid
CID 137346925
4-(difluoromethoxy)-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118821925
1-[4-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 171031809
1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]ethanone
CID 178156503
1-[3-(difluoromethoxy)-4-fluoro-5-methylphenyl]ethanone
CID 131616126
1-[4-amino-2-(difluoromethoxy)-6-fluorophenyl]ethanone
CID 131295418
1-(5-bromo-4-methoxy-2-pyridinyl)ethanone
CID 84693223
1-[2-[2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone
CID 62653727
1-[5-(difluoromethoxy)-4-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridinyl]ethanone
CID 129045080
1-[2-(difluoromethoxy)-4-ethyl-6-fluorophenyl]ethanone
CID 171031671
4-(difluoromethoxy)-5-fluoro-2-methylbenzoic acid
CID 131290844

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]ethanone?
The IUPAC name of 1-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]ethanone (CID 167107554) is 1-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]ethanone?
The canonical SMILES for 1-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]ethanone is CC(=O)c1cc(OC(F)F)c(F)cn1.
What is the InChIKey of 1-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]ethanone?
The InChIKey is ZZJZSWRBBZIAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2/c1-4(13)6-2-7(14-8(10)11)5(9)3-12-6/h2-3,8H,1H3.
What are the key properties of 1-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]ethanone?
1-[4-(difluoromethoxy)-5-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-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]ethanone is sourced from PubChem (CID 167107554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).