1,1,1-trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-one

C14H24F3NO — CID 164869626

IUPAC1,1,1-trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-one
SMILESCCC(C(=O)C(F)(F)F)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C14H24F3NO/c1-6-10(11(19)14(15,16)17)9-7-12(2,3)18-13(4,5)8-9/h9-10,18H,6-8H2,1-5H3
InChIKeyAEJGUPVCZQNFHO-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.70
Rot. Bonds3

About 1,1,1-trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-one

1,1,1-trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-one (PubChem CID 164869626) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-one
PubChem CID164869626
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name1,1,1-trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-one
SMILESCCC(C(=O)C(F)(F)F)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C14H24F3NO/c1-6-10(11(19)14(15,16)17)9-7-12(2,3)18-13(4,5)8-9/h9-10,18H,6-8H2,1-5H3
InChIKeyAEJGUPVCZQNFHO-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,6,6-Tetrakis(1,1,1-trifluoropropan-2-yl)piperidin-4-one
CID 87592607
5,5,6,6-Tetramethyl-3-(trifluoromethyl)piperidin-2-one
CID 162351710
1,1,1-Trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one
CID 164869646
1,1,1-Trifluoro-5-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-one
CID 164869658
4,4,6-Trifluoro-3,6-dimethyl-5-propan-2-ylpiperidin-2-one
CID 170011785
5-Fluoro-6,6-dimethyl-4-pentyl-3-propan-2-ylpiperidin-2-one
CID 170015724
2,2-Dimethyl-6,6-bis(3,3,3-trifluoropropyl)piperidin-4-one
CID 175797679
3,5-Diacetyl-2,6-dimethyldihydrolutidine
CID 129820448
8,8,8-Trifluoro-2-piperidin-3-yloctan-4-one
CID 113541058
1,1,1-Trifluoro-6-piperidin-3-ylheptan-4-one
CID 116594452
1-(2,2,6,6-Tetramethylpiperidin-4-yl)propan-2-one
CID 15066271
2,6-Dimethyl-2,6-dipropyl-3-ethyl-4-oxopiperidine
CID 22341843

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-one?
The IUPAC name of 1,1,1-trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-one (CID 164869626) is 1,1,1-trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-one?
The canonical SMILES for 1,1,1-trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-one is CCC(C(=O)C(F)(F)F)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 1,1,1-trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-one?
The InChIKey is AEJGUPVCZQNFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-6-10(11(19)14(15,16)17)9-7-12(2,3)18-13(4,5)8-9/h9-10,18H,6-8H2,1-5H3.
What are the key properties of 1,1,1-trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-one?
1,1,1-trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-one has a molecular weight of 279.35 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-one is sourced from PubChem (CID 164869626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).