2,2-dimethyl-6,6-bis(3,3,3-trifluoropropyl)piperidin-4-one

C13H19F6NO — CID 175797679

IUPAC2,2-dimethyl-6,6-bis(3,3,3-trifluoropropyl)piperidin-4-one
SMILESCC1(C)CC(=O)CC(CCC(F)(F)F)(CCC(F)(F)F)N1
InChIInChI=1S/C13H19F6NO/c1-10(2)7-9(21)8-11(20-10,3-5-12(14,15)16)4-6-13(17,18)19/h20H,3-8H2,1-2H3
InChIKeyUVWUIPAUTDMHOJ-UHFFFAOYSA-N
MW319.29 g/mol
LogP4.14
Rot. Bonds4

About 2,2-dimethyl-6,6-bis(3,3,3-trifluoropropyl)piperidin-4-one

2,2-dimethyl-6,6-bis(3,3,3-trifluoropropyl)piperidin-4-one (PubChem CID 175797679) has the molecular formula C13H19F6NO and a molecular weight of 319.29 g/mol. Its IUPAC name is 2,2-dimethyl-6,6-bis(3,3,3-trifluoropropyl)piperidin-4-one.

Molecular Properties

Compound Name2,2-dimethyl-6,6-bis(3,3,3-trifluoropropyl)piperidin-4-one
PubChem CID175797679
Molecular FormulaC13H19F6NO
Molecular Weight319.29 g/mol
Exact Mass319.14
IUPAC Name2,2-dimethyl-6,6-bis(3,3,3-trifluoropropyl)piperidin-4-one
SMILESCC1(C)CC(=O)CC(CCC(F)(F)F)(CCC(F)(F)F)N1
InChIInChI=1S/C13H19F6NO/c1-10(2)7-9(21)8-11(20-10,3-5-12(14,15)16)4-6-13(17,18)19/h20H,3-8H2,1-2H3
InChIKeyUVWUIPAUTDMHOJ-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,6,6-Tetraethylpiperidin-4-one
CID 45095009
2,6-Diethyl-2,3,6-trimethylpiperidin-4-one
CID 22182213
2,2,6,6-Tetrakis(1,1,1-trifluoropropan-2-yl)piperidin-4-one
CID 87592607
3-Fluoro-2,2,6,6-tetramethylpiperidin-4-one
CID 139536839
(3R)-6-butyl-3-fluoro-2,2,6-trimethylpiperidin-4-one
CID 139549310
(3R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-one
CID 153348606
1,1,1-Trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-one
CID 164869626
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
2,2,6-Trimethyl-6-(trifluoromethyl)piperidin-4-one
CID 165129272
2,2,6,6-Tetramethylpiperidin-1-ium-4-one hexafluorophosphate
CID 139053537
3-(4-Ethylpiperidin-2-yl)-1,1,1-trifluoropropan-2-one
CID 114425852

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6,6-bis(3,3,3-trifluoropropyl)piperidin-4-one?
The IUPAC name of 2,2-dimethyl-6,6-bis(3,3,3-trifluoropropyl)piperidin-4-one (CID 175797679) is 2,2-dimethyl-6,6-bis(3,3,3-trifluoropropyl)piperidin-4-one.
What is the SMILES notation for 2,2-dimethyl-6,6-bis(3,3,3-trifluoropropyl)piperidin-4-one?
The canonical SMILES for 2,2-dimethyl-6,6-bis(3,3,3-trifluoropropyl)piperidin-4-one is CC1(C)CC(=O)CC(CCC(F)(F)F)(CCC(F)(F)F)N1.
What is the InChIKey of 2,2-dimethyl-6,6-bis(3,3,3-trifluoropropyl)piperidin-4-one?
The InChIKey is UVWUIPAUTDMHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F6NO/c1-10(2)7-9(21)8-11(20-10,3-5-12(14,15)16)4-6-13(17,18)19/h20H,3-8H2,1-2H3.
What are the key properties of 2,2-dimethyl-6,6-bis(3,3,3-trifluoropropyl)piperidin-4-one?
2,2-dimethyl-6,6-bis(3,3,3-trifluoropropyl)piperidin-4-one has a molecular weight of 319.29 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6,6-bis(3,3,3-trifluoropropyl)piperidin-4-one is sourced from PubChem (CID 175797679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).