3,3,3-trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one

C10H13F6NO2 — CID 103310144

IUPAC3,3,3-trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one
SMILESO=C(C(C(F)(F)F)C(F)(F)F)N1CCCCC1CO
InChIInChI=1S/C10H13F6NO2/c11-9(12,13)7(10(14,15)16)8(19)17-4-2-1-3-6(17)5-18/h6-7,18H,1-5H2
InChIKeyGGAVQFXNVHILDI-UHFFFAOYSA-N
MW293.21 g/mol
LogP2.10
Rot. Bonds2

About 3,3,3-trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one

3,3,3-trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one (PubChem CID 103310144) has the molecular formula C10H13F6NO2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one
PubChem CID103310144
Molecular FormulaC10H13F6NO2
Molecular Weight293.21 g/mol
Exact Mass293.09
IUPAC Name3,3,3-trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one
SMILESO=C(C(C(F)(F)F)C(F)(F)F)N1CCCCC1CO
InChIInChI=1S/C10H13F6NO2/c11-9(12,13)7(10(14,15)16)8(19)17-4-2-1-3-6(17)5-18/h6-7,18H,1-5H2
InChIKeyGGAVQFXNVHILDI-UHFFFAOYSA-N
XLogP2.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-[(2R,5S)-5-hydroxy-2-methylpiperidin-1-yl]ethanone
CID 117635119
2,2,2-trifluoro-1-[(2R,5R)-5-hydroxy-2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 132022401
2,2,2-trifluoro-1-[(2S,5S)-5-hydroxy-2-methylpiperidin-1-yl]ethanone
CID 153951885
1-[2-(Hydroxymethyl)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 43421045
3,3,3-Trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43421699
2,2,2-Trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60999863
2,2,2-Trifluoro-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 60999970
4,4,4-Trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]butan-1-one
CID 65710966
2,2,2-trifluoro-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 93426879
3-(2,2-Difluoroethoxy)-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 103209013
3,3,3-Trifluoro-1-(3-hydroxypiperidin-1-yl)-2-(trifluoromethyl)propan-1-one
CID 103310142
3,3,3-Trifluoro-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one
CID 103310147

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one (CID 103310144) is 3,3,3-trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one is O=C(C(C(F)(F)F)C(F)(F)F)N1CCCCC1CO.
What is the InChIKey of 3,3,3-trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one?
The InChIKey is GGAVQFXNVHILDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6NO2/c11-9(12,13)7(10(14,15)16)8(19)17-4-2-1-3-6(17)5-18/h6-7,18H,1-5H2.
What are the key properties of 3,3,3-trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one?
3,3,3-trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one has a molecular weight of 293.21 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one is sourced from PubChem (CID 103310144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).