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

C12H20F3NO — CID 164869646

IUPAC1,1,1-trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one
SMILESCC1(C)CC(CC(=O)C(F)(F)F)CC(C)(C)N1
InChIInChI=1S/C12H20F3NO/c1-10(2)6-8(7-11(3,4)16-10)5-9(17)12(13,14)15/h8,16H,5-7H2,1-4H3
InChIKeyNGHHNIFJJQMQNU-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.06
Rot. Bonds2

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

1,1,1-trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one (PubChem CID 164869646) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one
PubChem CID164869646
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name1,1,1-trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one
SMILESCC1(C)CC(CC(=O)C(F)(F)F)CC(C)(C)N1
InChIInChI=1S/C12H20F3NO/c1-10(2)6-8(7-11(3,4)16-10)5-9(17)12(13,14)15/h8,16H,5-7H2,1-4H3
InChIKeyNGHHNIFJJQMQNU-UHFFFAOYSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one?
The IUPAC name of 1,1,1-trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one (CID 164869646) is 1,1,1-trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one?
The canonical SMILES for 1,1,1-trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one is CC1(C)CC(CC(=O)C(F)(F)F)CC(C)(C)N1.
What is the InChIKey of 1,1,1-trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one?
The InChIKey is NGHHNIFJJQMQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-10(2)6-8(7-11(3,4)16-10)5-9(17)12(13,14)15/h8,16H,5-7H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one?
1,1,1-trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one has a molecular weight of 251.29 g/mol, XLogP of 3.06, 2 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)propan-2-one is sourced from PubChem (CID 164869646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).