5,5,6,6-tetramethyl-3-(trifluoromethyl)piperidin-2-one

C10H16F3NO — CID 162351710

IUPAC5,5,6,6-tetramethyl-3-(trifluoromethyl)piperidin-2-one
SMILESCC1(C)CC(C(F)(F)F)C(=O)NC1(C)C
InChIInChI=1S/C10H16F3NO/c1-8(2)5-6(10(11,12)13)7(15)14-9(8,3)4/h6H,5H2,1-4H3,(H,14,15)
InChIKeyPGAHLYYYIHHMSK-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.49
Rot. Bonds

About 5,5,6,6-tetramethyl-3-(trifluoromethyl)piperidin-2-one

5,5,6,6-tetramethyl-3-(trifluoromethyl)piperidin-2-one (PubChem CID 162351710) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 5,5,6,6-tetramethyl-3-(trifluoromethyl)piperidin-2-one.

Molecular Properties

Compound Name5,5,6,6-tetramethyl-3-(trifluoromethyl)piperidin-2-one
PubChem CID162351710
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name5,5,6,6-tetramethyl-3-(trifluoromethyl)piperidin-2-one
SMILESCC1(C)CC(C(F)(F)F)C(=O)NC1(C)C
InChIInChI=1S/C10H16F3NO/c1-8(2)5-6(10(11,12)13)7(15)14-9(8,3)4/h6H,5H2,1-4H3,(H,14,15)
InChIKeyPGAHLYYYIHHMSK-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5,6,6-tetramethyl-3-(trifluoromethyl)piperidin-2-one?
The IUPAC name of 5,5,6,6-tetramethyl-3-(trifluoromethyl)piperidin-2-one (CID 162351710) is 5,5,6,6-tetramethyl-3-(trifluoromethyl)piperidin-2-one.
What is the SMILES notation for 5,5,6,6-tetramethyl-3-(trifluoromethyl)piperidin-2-one?
The canonical SMILES for 5,5,6,6-tetramethyl-3-(trifluoromethyl)piperidin-2-one is CC1(C)CC(C(F)(F)F)C(=O)NC1(C)C.
What is the InChIKey of 5,5,6,6-tetramethyl-3-(trifluoromethyl)piperidin-2-one?
The InChIKey is PGAHLYYYIHHMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-8(2)5-6(10(11,12)13)7(15)14-9(8,3)4/h6H,5H2,1-4H3,(H,14,15).
What are the key properties of 5,5,6,6-tetramethyl-3-(trifluoromethyl)piperidin-2-one?
5,5,6,6-tetramethyl-3-(trifluoromethyl)piperidin-2-one has a molecular weight of 223.24 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6-tetramethyl-3-(trifluoromethyl)piperidin-2-one is sourced from PubChem (CID 162351710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).