1-[3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]ethanone

C8H13F2NO3 — CID 75631746

IUPAC1-[3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]ethanone
SMILESCC(=O)N1CC(O)C(O)C(C(F)F)C1
InChIInChI=1S/C8H13F2NO3/c1-4(12)11-2-5(8(9)10)7(14)6(13)3-11/h5-8,13-14H,2-3H2,1H3
InChIKeyWXNCUYORPMNHPI-UHFFFAOYSA-N
MW209.19 g/mol
LogP-0.55
Rot. Bonds1

About 1-[3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]ethanone

1-[3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]ethanone (PubChem CID 75631746) has the molecular formula C8H13F2NO3 and a molecular weight of 209.19 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]ethanone
PubChem CID75631746
Molecular FormulaC8H13F2NO3
Molecular Weight209.19 g/mol
Exact Mass209.09
IUPAC Name1-[3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]ethanone
SMILESCC(=O)N1CC(O)C(O)C(C(F)F)C1
InChIInChI=1S/C8H13F2NO3/c1-4(12)11-2-5(8(9)10)7(14)6(13)3-11/h5-8,13-14H,2-3H2,1H3
InChIKeyWXNCUYORPMNHPI-UHFFFAOYSA-N
XLogP-0.55
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-difluoro-1-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]butan-1-one
CID 126790798
(3R,4R,5S)-1-butyl-5-(difluoromethyl)piperidine-3,4-diol
CID 51356490
1-((3S,4R,5R)-3-(Difluoromethyl)-4,5-dihydroxypiperidine-1-yl)pentane-1-one
CID 51356754
1-[(3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]ethanone
CID 51357309
1-[4-(1,2-Dihydroxyethyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 57119701
methyl (3R,4R,5S)-3,4-dihydroxy-5-(trifluoromethyl)piperidine-1-carboxylate
CID 58225274
1-Acetyl-4-fluoro-4-(2,2,2-trifluoro-1-hydroxyethyl)-piperidine
CID 67402290
1-[4-(2,2,2-Trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 67402368
methyl (3R,4R)-3,4-dihydroxy-5-(trifluoromethyl)piperidine-1-carboxylate
CID 71100165
Butyl-5-(difluoromethyl)piperidine 3,4-diol
CID 75631375
1-[3-(Difluoromethyl)-4,5-dihydroxypiperidin-1-yl]pentan-1-one
CID 75631485
1-[3-(1-Fluoroethyl)-4,5-dihydroxypiperidin-1-yl]ethanone
CID 123152027

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]ethanone?
The IUPAC name of 1-[3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]ethanone (CID 75631746) is 1-[3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]ethanone is CC(=O)N1CC(O)C(O)C(C(F)F)C1.
What is the InChIKey of 1-[3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]ethanone?
The InChIKey is WXNCUYORPMNHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO3/c1-4(12)11-2-5(8(9)10)7(14)6(13)3-11/h5-8,13-14H,2-3H2,1H3.
What are the key properties of 1-[3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]ethanone?
1-[3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]ethanone has a molecular weight of 209.19 g/mol, XLogP of -0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]ethanone is sourced from PubChem (CID 75631746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).