1-[5-[3-(difluoromethoxy)cyclobutyl]oxy-2-pyridinyl]propan-1-one

C13H15F2NO3 — CID 176878812

IUPAC1-[5-[3-(difluoromethoxy)cyclobutyl]oxy-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(OC2CC(OC(F)F)C2)cn1
InChIInChI=1S/C13H15F2NO3/c1-2-12(17)11-4-3-8(7-16-11)18-9-5-10(6-9)19-13(14)15/h3-4,7,9-10,13H,2,5-6H2,1H3
InChIKeyVPQPSZBELNCULK-UHFFFAOYSA-N
MW271.26 g/mol
LogP2.82
Rot. Bonds6

About 1-[5-[3-(difluoromethoxy)cyclobutyl]oxy-2-pyridinyl]propan-1-one

1-[5-[3-(difluoromethoxy)cyclobutyl]oxy-2-pyridinyl]propan-1-one (PubChem CID 176878812) has the molecular formula C13H15F2NO3 and a molecular weight of 271.26 g/mol. Its IUPAC name is 1-[5-[3-(difluoromethoxy)cyclobutyl]oxy-2-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[5-[3-(difluoromethoxy)cyclobutyl]oxy-2-pyridinyl]propan-1-one
PubChem CID176878812
Molecular FormulaC13H15F2NO3
Molecular Weight271.26 g/mol
Exact Mass271.10
IUPAC Name1-[5-[3-(difluoromethoxy)cyclobutyl]oxy-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(OC2CC(OC(F)F)C2)cn1
InChIInChI=1S/C13H15F2NO3/c1-2-12(17)11-4-3-8(7-16-11)18-9-5-10(6-9)19-13(14)15/h3-4,7,9-10,13H,2,5-6H2,1H3
InChIKeyVPQPSZBELNCULK-UHFFFAOYSA-N
XLogP2.82
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(difluoromethoxy)cyclobutyl]oxy-2-pyridinyl]propan-1-one?
The IUPAC name of 1-[5-[3-(difluoromethoxy)cyclobutyl]oxy-2-pyridinyl]propan-1-one (CID 176878812) is 1-[5-[3-(difluoromethoxy)cyclobutyl]oxy-2-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[5-[3-(difluoromethoxy)cyclobutyl]oxy-2-pyridinyl]propan-1-one?
The canonical SMILES for 1-[5-[3-(difluoromethoxy)cyclobutyl]oxy-2-pyridinyl]propan-1-one is CCC(=O)c1ccc(OC2CC(OC(F)F)C2)cn1.
What is the InChIKey of 1-[5-[3-(difluoromethoxy)cyclobutyl]oxy-2-pyridinyl]propan-1-one?
The InChIKey is VPQPSZBELNCULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO3/c1-2-12(17)11-4-3-8(7-16-11)18-9-5-10(6-9)19-13(14)15/h3-4,7,9-10,13H,2,5-6H2,1H3.
What are the key properties of 1-[5-[3-(difluoromethoxy)cyclobutyl]oxy-2-pyridinyl]propan-1-one?
1-[5-[3-(difluoromethoxy)cyclobutyl]oxy-2-pyridinyl]propan-1-one has a molecular weight of 271.26 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(difluoromethoxy)cyclobutyl]oxy-2-pyridinyl]propan-1-one is sourced from PubChem (CID 176878812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).