2,2,6-trimethyl-6-(trifluoromethyl)piperidin-4-one

C9H14F3NO — CID 165129272

IUPAC2,2,6-trimethyl-6-(trifluoromethyl)piperidin-4-one
SMILESCC1(C)CC(=O)CC(C)(C(F)(F)F)N1
InChIInChI=1S/C9H14F3NO/c1-7(2)4-6(14)5-8(3,13-7)9(10,11)12/h13H,4-5H2,1-3H3
InChIKeyBMUMDBZDAPBXLX-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.04
Rot. Bonds

About 2,2,6-trimethyl-6-(trifluoromethyl)piperidin-4-one

2,2,6-trimethyl-6-(trifluoromethyl)piperidin-4-one (PubChem CID 165129272) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 2,2,6-trimethyl-6-(trifluoromethyl)piperidin-4-one.

Molecular Properties

Compound Name2,2,6-trimethyl-6-(trifluoromethyl)piperidin-4-one
PubChem CID165129272
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name2,2,6-trimethyl-6-(trifluoromethyl)piperidin-4-one
SMILESCC1(C)CC(=O)CC(C)(C(F)(F)F)N1
InChIInChI=1S/C9H14F3NO/c1-7(2)4-6(14)5-8(3,13-7)9(10,11)12/h13H,4-5H2,1-3H3
InChIKeyBMUMDBZDAPBXLX-UHFFFAOYSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-6-(trifluoromethyl)piperidin-4-one?
The IUPAC name of 2,2,6-trimethyl-6-(trifluoromethyl)piperidin-4-one (CID 165129272) is 2,2,6-trimethyl-6-(trifluoromethyl)piperidin-4-one.
What is the SMILES notation for 2,2,6-trimethyl-6-(trifluoromethyl)piperidin-4-one?
The canonical SMILES for 2,2,6-trimethyl-6-(trifluoromethyl)piperidin-4-one is CC1(C)CC(=O)CC(C)(C(F)(F)F)N1.
What is the InChIKey of 2,2,6-trimethyl-6-(trifluoromethyl)piperidin-4-one?
The InChIKey is BMUMDBZDAPBXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-7(2)4-6(14)5-8(3,13-7)9(10,11)12/h13H,4-5H2,1-3H3.
What are the key properties of 2,2,6-trimethyl-6-(trifluoromethyl)piperidin-4-one?
2,2,6-trimethyl-6-(trifluoromethyl)piperidin-4-one has a molecular weight of 209.21 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-6-(trifluoromethyl)piperidin-4-one is sourced from PubChem (CID 165129272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).