2,2,2-trifluoro-1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]ethanone

C9H9F6NO2 — CID 45257661

IUPAC2,2,2-trifluoro-1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]ethanone
SMILESO=C(C1CCN(C(=O)C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C9H9F6NO2/c10-8(11,12)6(17)5-1-3-16(4-2-5)7(18)9(13,14)15/h5H,1-4H2
InChIKeyGPCHOXRTOOPBPY-UHFFFAOYSA-N
MW277.16 g/mol
LogP1.92
Rot. Bonds1

About 2,2,2-trifluoro-1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]ethanone

2,2,2-trifluoro-1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]ethanone (PubChem CID 45257661) has the molecular formula C9H9F6NO2 and a molecular weight of 277.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]ethanone
PubChem CID45257661
Molecular FormulaC9H9F6NO2
Molecular Weight277.16 g/mol
Exact Mass277.05
IUPAC Name2,2,2-trifluoro-1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]ethanone
SMILESO=C(C1CCN(C(=O)C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C9H9F6NO2/c10-8(11,12)6(17)5-1-3-16(4-2-5)7(18)9(13,14)15/h5H,1-4H2
InChIKeyGPCHOXRTOOPBPY-UHFFFAOYSA-N
XLogP1.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]ethanone (CID 45257661) is 2,2,2-trifluoro-1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]ethanone is O=C(C1CCN(C(=O)C(F)(F)F)CC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]ethanone?
The InChIKey is GPCHOXRTOOPBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F6NO2/c10-8(11,12)6(17)5-1-3-16(4-2-5)7(18)9(13,14)15/h5H,1-4H2.
What are the key properties of 2,2,2-trifluoro-1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]ethanone?
2,2,2-trifluoro-1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]ethanone has a molecular weight of 277.16 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 45257661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).