2,2,2-trifluoro-1-(2,5,5-trimethylpiperidin-1-yl)ethanone

C10H16F3NO — CID 101411695

IUPAC2,2,2-trifluoro-1-(2,5,5-trimethylpiperidin-1-yl)ethanone
SMILESCC1CCC(C)(C)CN1C(=O)C(F)(F)F
InChIInChI=1S/C10H16F3NO/c1-7-4-5-9(2,3)6-14(7)8(15)10(11,12)13/h7H,4-6H2,1-3H3
InChIKeyJVKWQMDLWMQQTL-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.59
Rot. Bonds

About 2,2,2-trifluoro-1-(2,5,5-trimethylpiperidin-1-yl)ethanone

2,2,2-trifluoro-1-(2,5,5-trimethylpiperidin-1-yl)ethanone (PubChem CID 101411695) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2,5,5-trimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2,5,5-trimethylpiperidin-1-yl)ethanone
PubChem CID101411695
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name2,2,2-trifluoro-1-(2,5,5-trimethylpiperidin-1-yl)ethanone
SMILESCC1CCC(C)(C)CN1C(=O)C(F)(F)F
InChIInChI=1S/C10H16F3NO/c1-7-4-5-9(2,3)6-14(7)8(15)10(11,12)13/h7H,4-6H2,1-3H3
InChIKeyJVKWQMDLWMQQTL-UHFFFAOYSA-N
XLogP2.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2,5,5-trimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(2,5,5-trimethylpiperidin-1-yl)ethanone (CID 101411695) is 2,2,2-trifluoro-1-(2,5,5-trimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(2,5,5-trimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(2,5,5-trimethylpiperidin-1-yl)ethanone is CC1CCC(C)(C)CN1C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(2,5,5-trimethylpiperidin-1-yl)ethanone?
The InChIKey is JVKWQMDLWMQQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-7-4-5-9(2,3)6-14(7)8(15)10(11,12)13/h7H,4-6H2,1-3H3.
What are the key properties of 2,2,2-trifluoro-1-(2,5,5-trimethylpiperidin-1-yl)ethanone?
2,2,2-trifluoro-1-(2,5,5-trimethylpiperidin-1-yl)ethanone has a molecular weight of 223.24 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2,5,5-trimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 101411695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).