3-(2,2-difluoroethoxy)-1-(2,2,2-trifluoroacetyl)piperidin-4-one

C9H10F5NO3 — CID 86648632

IUPAC3-(2,2-difluoroethoxy)-1-(2,2,2-trifluoroacetyl)piperidin-4-one
SMILESO=C1CCN(C(=O)C(F)(F)F)CC1OCC(F)F
InChIInChI=1S/C9H10F5NO3/c10-7(11)4-18-6-3-15(2-1-5(6)16)8(17)9(12,13)14/h6-7H,1-4H2
InChIKeyAEUXBFYLDANNBT-UHFFFAOYSA-N
MW275.17 g/mol
LogP1.00
Rot. Bonds3

About 3-(2,2-difluoroethoxy)-1-(2,2,2-trifluoroacetyl)piperidin-4-one

3-(2,2-difluoroethoxy)-1-(2,2,2-trifluoroacetyl)piperidin-4-one (PubChem CID 86648632) has the molecular formula C9H10F5NO3 and a molecular weight of 275.17 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(2,2,2-trifluoroacetyl)piperidin-4-one.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(2,2,2-trifluoroacetyl)piperidin-4-one
PubChem CID86648632
Molecular FormulaC9H10F5NO3
Molecular Weight275.17 g/mol
Exact Mass275.06
IUPAC Name3-(2,2-difluoroethoxy)-1-(2,2,2-trifluoroacetyl)piperidin-4-one
SMILESO=C1CCN(C(=O)C(F)(F)F)CC1OCC(F)F
InChIInChI=1S/C9H10F5NO3/c10-7(11)4-18-6-3-15(2-1-5(6)16)8(17)9(12,13)14/h6-7H,1-4H2
InChIKeyAEUXBFYLDANNBT-UHFFFAOYSA-N
XLogP1.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-(2,2,2-trifluoroacetyl)piperidin-4-one?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(2,2,2-trifluoroacetyl)piperidin-4-one (CID 86648632) is 3-(2,2-difluoroethoxy)-1-(2,2,2-trifluoroacetyl)piperidin-4-one.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(2,2,2-trifluoroacetyl)piperidin-4-one?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(2,2,2-trifluoroacetyl)piperidin-4-one is O=C1CCN(C(=O)C(F)(F)F)CC1OCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(2,2,2-trifluoroacetyl)piperidin-4-one?
The InChIKey is AEUXBFYLDANNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F5NO3/c10-7(11)4-18-6-3-15(2-1-5(6)16)8(17)9(12,13)14/h6-7H,1-4H2.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(2,2,2-trifluoroacetyl)piperidin-4-one?
3-(2,2-difluoroethoxy)-1-(2,2,2-trifluoroacetyl)piperidin-4-one has a molecular weight of 275.17 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-(2,2,2-trifluoroacetyl)piperidin-4-one is sourced from PubChem (CID 86648632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).