1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethanone

C10H11F2NO3 — CID 87426861

IUPAC1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethanone
SMILESCOc1nc(OCC(F)F)ccc1C(C)=O
InChIInChI=1S/C10H11F2NO3/c1-6(14)7-3-4-9(13-10(7)15-2)16-5-8(11)12/h3-4,8H,5H2,1-2H3
InChIKeyVAYJMRHZTDPUKE-UHFFFAOYSA-N
MW231.20 g/mol
LogP1.94
Rot. Bonds5

About 1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethanone

1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethanone (PubChem CID 87426861) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is 1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethanone
PubChem CID87426861
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Name1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethanone
SMILESCOc1nc(OCC(F)F)ccc1C(C)=O
InChIInChI=1S/C10H11F2NO3/c1-6(14)7-3-4-9(13-10(7)15-2)16-5-8(11)12/h3-4,8H,5H2,1-2H3
InChIKeyVAYJMRHZTDPUKE-UHFFFAOYSA-N
XLogP1.94
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethanone (CID 87426861) is 1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethanone is COc1nc(OCC(F)F)ccc1C(C)=O.
What is the InChIKey of 1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethanone?
The InChIKey is VAYJMRHZTDPUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c1-6(14)7-3-4-9(13-10(7)15-2)16-5-8(11)12/h3-4,8H,5H2,1-2H3.
What are the key properties of 1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethanone?
1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethanone has a molecular weight of 231.20 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethanone is sourced from PubChem (CID 87426861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).