2,2-difluoro-1-(4-methoxypiperidin-1-yl)ethanone

C8H13F2NO2 — CID 103514742

IUPAC2,2-difluoro-1-(4-methoxypiperidin-1-yl)ethanone
SMILESCOC1CCN(C(=O)C(F)F)CC1
InChIInChI=1S/C8H13F2NO2/c1-13-6-2-4-11(5-3-6)8(12)7(9)10/h6-7H,2-5H2,1H3
InChIKeyNYVHDURDNHJVEG-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.89
Rot. Bonds2

About 2,2-difluoro-1-(4-methoxypiperidin-1-yl)ethanone

2,2-difluoro-1-(4-methoxypiperidin-1-yl)ethanone (PubChem CID 103514742) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 2,2-difluoro-1-(4-methoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(4-methoxypiperidin-1-yl)ethanone
PubChem CID103514742
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name2,2-difluoro-1-(4-methoxypiperidin-1-yl)ethanone
SMILESCOC1CCN(C(=O)C(F)F)CC1
InChIInChI=1S/C8H13F2NO2/c1-13-6-2-4-11(5-3-6)8(12)7(9)10/h6-7H,2-5H2,1H3
InChIKeyNYVHDURDNHJVEG-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(4-methoxypiperidin-1-yl)ethanone?
The IUPAC name of 2,2-difluoro-1-(4-methoxypiperidin-1-yl)ethanone (CID 103514742) is 2,2-difluoro-1-(4-methoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(4-methoxypiperidin-1-yl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(4-methoxypiperidin-1-yl)ethanone is COC1CCN(C(=O)C(F)F)CC1.
What is the InChIKey of 2,2-difluoro-1-(4-methoxypiperidin-1-yl)ethanone?
The InChIKey is NYVHDURDNHJVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-13-6-2-4-11(5-3-6)8(12)7(9)10/h6-7H,2-5H2,1H3.
What are the key properties of 2,2-difluoro-1-(4-methoxypiperidin-1-yl)ethanone?
2,2-difluoro-1-(4-methoxypiperidin-1-yl)ethanone has a molecular weight of 193.19 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(4-methoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 103514742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).