1-[4-(difluoromethoxy)-3-pyridin-2-yloxyphenyl]butan-1-one

C16H15F2NO3 — CID 25179115

IUPAC1-[4-(difluoromethoxy)-3-pyridin-2-yloxyphenyl]butan-1-one
SMILESCCCC(=O)c1ccc(OC(F)F)c(Oc2ccccn2)c1
InChIInChI=1S/C16H15F2NO3/c1-2-5-12(20)11-7-8-13(22-16(17)18)14(10-11)21-15-6-3-4-9-19-15/h3-4,6-10,16H,2,5H2,1H3
InChIKeyKWJSYYRZFWZKCZ-UHFFFAOYSA-N
MW307.30 g/mol
LogP4.46
Rot. Bonds7

About 1-[4-(difluoromethoxy)-3-pyridin-2-yloxyphenyl]butan-1-one

1-[4-(difluoromethoxy)-3-pyridin-2-yloxyphenyl]butan-1-one (PubChem CID 25179115) has the molecular formula C16H15F2NO3 and a molecular weight of 307.30 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)-3-pyridin-2-yloxyphenyl]butan-1-one.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)-3-pyridin-2-yloxyphenyl]butan-1-one
PubChem CID25179115
Molecular FormulaC16H15F2NO3
Molecular Weight307.30 g/mol
Exact Mass307.10
IUPAC Name1-[4-(difluoromethoxy)-3-pyridin-2-yloxyphenyl]butan-1-one
SMILESCCCC(=O)c1ccc(OC(F)F)c(Oc2ccccn2)c1
InChIInChI=1S/C16H15F2NO3/c1-2-5-12(20)11-7-8-13(22-16(17)18)14(10-11)21-15-6-3-4-9-19-15/h3-4,6-10,16H,2,5H2,1H3
InChIKeyKWJSYYRZFWZKCZ-UHFFFAOYSA-N
XLogP4.46
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)-3-pyridin-2-yloxyphenyl]butan-1-one?
The IUPAC name of 1-[4-(difluoromethoxy)-3-pyridin-2-yloxyphenyl]butan-1-one (CID 25179115) is 1-[4-(difluoromethoxy)-3-pyridin-2-yloxyphenyl]butan-1-one.
What is the SMILES notation for 1-[4-(difluoromethoxy)-3-pyridin-2-yloxyphenyl]butan-1-one?
The canonical SMILES for 1-[4-(difluoromethoxy)-3-pyridin-2-yloxyphenyl]butan-1-one is CCCC(=O)c1ccc(OC(F)F)c(Oc2ccccn2)c1.
What is the InChIKey of 1-[4-(difluoromethoxy)-3-pyridin-2-yloxyphenyl]butan-1-one?
The InChIKey is KWJSYYRZFWZKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3/c1-2-5-12(20)11-7-8-13(22-16(17)18)14(10-11)21-15-6-3-4-9-19-15/h3-4,6-10,16H,2,5H2,1H3.
What are the key properties of 1-[4-(difluoromethoxy)-3-pyridin-2-yloxyphenyl]butan-1-one?
1-[4-(difluoromethoxy)-3-pyridin-2-yloxyphenyl]butan-1-one has a molecular weight of 307.30 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)-3-pyridin-2-yloxyphenyl]butan-1-one is sourced from PubChem (CID 25179115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).