1-[2-(difluoromethoxy)phenyl]-2-pyridin-2-ylpropan-1-one

C15H13F2NO2 — CID 66446206

IUPAC1-[2-(difluoromethoxy)phenyl]-2-pyridin-2-ylpropan-1-one
SMILESCC(C(=O)c1ccccc1OC(F)F)c1ccccn1
InChIInChI=1S/C15H13F2NO2/c1-10(12-7-4-5-9-18-12)14(19)11-6-2-3-8-13(11)20-15(16)17/h2-10,15H,1H3
InChIKeyQTTDAGPZBYRRED-UHFFFAOYSA-N
MW277.27 g/mol
LogP3.67
Rot. Bonds5

About 1-[2-(difluoromethoxy)phenyl]-2-pyridin-2-ylpropan-1-one

1-[2-(difluoromethoxy)phenyl]-2-pyridin-2-ylpropan-1-one (PubChem CID 66446206) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-2-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-2-pyridin-2-ylpropan-1-one
PubChem CID66446206
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name1-[2-(difluoromethoxy)phenyl]-2-pyridin-2-ylpropan-1-one
SMILESCC(C(=O)c1ccccc1OC(F)F)c1ccccn1
InChIInChI=1S/C15H13F2NO2/c1-10(12-7-4-5-9-18-12)14(19)11-6-2-3-8-13(11)20-15(16)17/h2-10,15H,1H3
InChIKeyQTTDAGPZBYRRED-UHFFFAOYSA-N
XLogP3.67
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dipyridin-2-ylpentan-3-one
CID 141048798
1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-one
CID 66448751
2-[2-(difluoromethoxy)benzoyl]propanedinitrile
CID 112732107
(2R)-2-pyridin-2-ylpropanoate
CID 86306983
2-pyridin-2-yl-1-(3,4,5-trifluorophenyl)propan-1-one
CID 66447774
1-(5-bromo-2-methylphenyl)-2-pyridin-2-ylpropan-1-one
CID 66448162
[2-chloro-3-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118825090
lithium 2-pyridin-2-ylpropanoate
CID 175058549
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824
1-[2-(difluoromethoxy)phenyl]-4-methylpentan-1-one
CID 114966814
[2-(difluoromethoxy)-5-methylphenyl]-pyridin-2-ylmethanone
CID 118836241
[2-(difluoromethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339376

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-2-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-2-pyridin-2-ylpropan-1-one (CID 66446206) is 1-[2-(difluoromethoxy)phenyl]-2-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-2-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-2-pyridin-2-ylpropan-1-one is CC(C(=O)c1ccccc1OC(F)F)c1ccccn1.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-2-pyridin-2-ylpropan-1-one?
The InChIKey is QTTDAGPZBYRRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-10(12-7-4-5-9-18-12)14(19)11-6-2-3-8-13(11)20-15(16)17/h2-10,15H,1H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-2-pyridin-2-ylpropan-1-one?
1-[2-(difluoromethoxy)phenyl]-2-pyridin-2-ylpropan-1-one has a molecular weight of 277.27 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-2-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 66446206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).