2,2,2-trifluoro-1-(3-hydroxypiperidin-1-yl)ethanone

C7H10F3NO2 — CID 58992584

IUPAC2,2,2-trifluoro-1-(3-hydroxypiperidin-1-yl)ethanone
SMILESO=C(N1CCCC(O)C1)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)6(13)11-3-1-2-5(12)4-11/h5,12H,1-4H2
InChIKeyPBTYRDMHPNDRSR-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.53
Rot. Bonds

About 2,2,2-trifluoro-1-(3-hydroxypiperidin-1-yl)ethanone

2,2,2-trifluoro-1-(3-hydroxypiperidin-1-yl)ethanone (PubChem CID 58992584) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-hydroxypiperidin-1-yl)ethanone
PubChem CID58992584
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name2,2,2-trifluoro-1-(3-hydroxypiperidin-1-yl)ethanone
SMILESO=C(N1CCCC(O)C1)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)6(13)11-3-1-2-5(12)4-11/h5,12H,1-4H2
InChIKeyPBTYRDMHPNDRSR-UHFFFAOYSA-N
XLogP0.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Hydroxypiperidin-1-yl)ethan-1-one
CID 21897030
2-Hydroxy-1-(3-hydroxy-1-piperidyl)ethanone
CID 6480491
2,2,2-trifluoro-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 93426876
1-(4,4-Difluoro-3-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone
CID 129968657
1-(4,4-Difluoro-3,3-dihydroxypiperidin-1-yl)-2,2,2-trifluoroethanone
CID 135039672
2,2,2-Trifluoro-1-(4-hydroxypiperidin-1-yl)ethanone
CID 15895240
1-(3,3-Difluoro-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethan-1-one
CID 46177344
1-[(3S,4R)-4-azido-3-hydroxypiperidin-1-yl]-2,2,2-trifluoroethanone
CID 57580566
2,2-Difluoro-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 58122754
1-[(3S,4S)-4-azido-3-hydroxypiperidin-1-yl]-2,2,2-trifluoroethanone
CID 58745490
1-[(3R,4R)-4-azido-3-hydroxypiperidin-1-yl]-2,2,2-trifluoroethanone
CID 58745610
1-(2,2,2-Trifluoroethyl)piperidin-3-ol
CID 60733148

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(3-hydroxypiperidin-1-yl)ethanone (CID 58992584) is 2,2,2-trifluoro-1-(3-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(3-hydroxypiperidin-1-yl)ethanone is O=C(N1CCCC(O)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(3-hydroxypiperidin-1-yl)ethanone?
The InChIKey is PBTYRDMHPNDRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c8-7(9,10)6(13)11-3-1-2-5(12)4-11/h5,12H,1-4H2.
What are the key properties of 2,2,2-trifluoro-1-(3-hydroxypiperidin-1-yl)ethanone?
2,2,2-trifluoro-1-(3-hydroxypiperidin-1-yl)ethanone has a molecular weight of 197.16 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 58992584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).