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

C10H13F6NO2 — CID 126758321

IUPAC1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C10H13F6NO2/c1-6(18)17-4-2-7(3-5-17)8(19,9(11,12)13)10(14,15)16/h7,19H,2-5H2,1H3
InChIKeyANJWBSNUIGBOJL-UHFFFAOYSA-N
MW293.21 g/mol
LogP2.10
Rot. Bonds1

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

1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)piperidin-1-yl]ethanone (PubChem CID 126758321) has the molecular formula C10H13F6NO2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)piperidin-1-yl]ethanone
PubChem CID126758321
Molecular FormulaC10H13F6NO2
Molecular Weight293.21 g/mol
Exact Mass293.09
IUPAC Name1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C10H13F6NO2/c1-6(18)17-4-2-7(3-5-17)8(19,9(11,12)13)10(14,15)16/h7,19H,2-5H2,1H3
InChIKeyANJWBSNUIGBOJL-UHFFFAOYSA-N
XLogP2.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-Trifluoro-1-(cis-3-fluoro-4,5-dimethylpiperidin-1-yl)ethan-1-one
CID 134827889
1-[3,3-Difluoro-4-(hydroxymethyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 46177337
1-(4-Ethyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone
CID 59083778
1-Acetyl-4-fluoro-4-(2,2,2-trifluoro-1-hydroxyethyl)-piperidine
CID 67402290
2,2,2-Trifluoro-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80707610
1,1,1,3,3,3-Hexafluoro-2-(1-methylpiperidin-4-yl)propan-2-ol
CID 89715300
1-[4-Hydroxy-4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 118218351
1-[4-Hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 118219117
1-[4-(Difluoromethyl)-4-hydroxypiperidin-1-yl]ethanone
CID 118929016
1-[3-Hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 122533809
1-[4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 126750059
2,2-Dimethyl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)piperidin-1-yl]propan-1-one
CID 126750092

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]ethanone?
The IUPAC name of 1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)piperidin-1-yl]ethanone (CID 126758321) is 1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)piperidin-1-yl]ethanone is CC(=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]ethanone?
The InChIKey is ANJWBSNUIGBOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6NO2/c1-6(18)17-4-2-7(3-5-17)8(19,9(11,12)13)10(14,15)16/h7,19H,2-5H2,1H3.
What are the key properties of 1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)piperidin-1-yl]ethanone?
1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)piperidin-1-yl]ethanone has a molecular weight of 293.21 g/mol, XLogP of 2.10, 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]ethanone is sourced from PubChem (CID 126758321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).