1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one

C13H19F6NO2 — CID 126750059

IUPAC1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C13H19F6NO2/c1-10(2,3)9(21)20-6-4-8(5-7-20)11(22,12(14,15)16)13(17,18)19/h8,22H,4-7H2,1-3H3
InChIKeyBFKFVOBVUWHAGL-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.13
Rot. Bonds1

About 1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 126750059) has the molecular formula C13H19F6NO2 and a molecular weight of 335.29 g/mol. Its IUPAC name is 1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID126750059
Molecular FormulaC13H19F6NO2
Molecular Weight335.29 g/mol
Exact Mass335.13
IUPAC Name1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C13H19F6NO2/c1-10(2,3)9(21)20-6-4-8(5-7-20)11(22,12(14,15)16)13(17,18)19/h8,22H,4-7H2,1-3H3
InChIKeyBFKFVOBVUWHAGL-UHFFFAOYSA-N
XLogP3.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

1-[4-(2,2,2-Trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 67402368
2,2-Dimethyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 112329170
1-[3-Hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 122533809
1-[4-(1,1-Difluoroethyl)-4-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 122675459
2,2-Dimethyl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)piperidin-1-yl]propan-1-one
CID 126750092
2,2-Dimethyl-1-[4-(1,1,1,3,3-pentafluoropropan-2-yl)piperidin-1-yl]propan-1-one
CID 126750356
1-[4-Hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 126750370
2,2-Dimethyl-1-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)piperidin-1-yl]propan-1-one
CID 126750474
1-[4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)piperidin-1-yl]ethanone
CID 126758321
1-[4-(1,1,1-Trifluoro-2-hydroxybutan-2-yl)piperidin-1-yl]ethanone
CID 126758358
1-[4-(1,1,1-Trifluoro-2-hydroxypropan-2-yl)piperidin-1-yl]ethanone
CID 126758421
1-[4-(Difluoromethyl)-4-hydroxypiperidin-1-yl]-2-methylpropan-1-one
CID 130416281

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 126750059) is 1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is BFKFVOBVUWHAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F6NO2/c1-10(2,3)9(21)20-6-4-8(5-7-20)11(22,12(14,15)16)13(17,18)19/h8,22H,4-7H2,1-3H3.
What are the key properties of 1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 335.29 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 126750059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).