1-[(3R,5S)-3-(difluoromethyl)-5-hydroxypiperidin-1-yl]ethanone

C8H13F2NO2 — CID 135264754

IUPAC1-[(3R,5S)-3-(difluoromethyl)-5-hydroxypiperidin-1-yl]ethanone
SMILESCC(=O)N1C[C@@H](O)C[C@@H](C(F)F)C1
InChIInChI=1S/C8H13F2NO2/c1-5(12)11-3-6(8(9)10)2-7(13)4-11/h6-8,13H,2-4H2,1H3/t6-,7+/m1/s1
InChIKeyWWEVEWGDCBRULN-RQJHMYQMSA-N
MW193.19 g/mol
LogP0.48
Rot. Bonds1

About 1-[(3R,5S)-3-(difluoromethyl)-5-hydroxypiperidin-1-yl]ethanone

1-[(3R,5S)-3-(difluoromethyl)-5-hydroxypiperidin-1-yl]ethanone (PubChem CID 135264754) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 1-[(3R,5S)-3-(difluoromethyl)-5-hydroxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R,5S)-3-(difluoromethyl)-5-hydroxypiperidin-1-yl]ethanone
PubChem CID135264754
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name1-[(3R,5S)-3-(difluoromethyl)-5-hydroxypiperidin-1-yl]ethanone
SMILESCC(=O)N1C[C@@H](O)C[C@@H](C(F)F)C1
InChIInChI=1S/C8H13F2NO2/c1-5(12)11-3-6(8(9)10)2-7(13)4-11/h6-8,13H,2-4H2,1H3/t6-,7+/m1/s1
InChIKeyWWEVEWGDCBRULN-RQJHMYQMSA-N
XLogP0.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,5S)-3-(difluoromethyl)-5-hydroxypiperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R,5S)-3-(difluoromethyl)-5-hydroxypiperidin-1-yl]ethanone (CID 135264754) is 1-[(3R,5S)-3-(difluoromethyl)-5-hydroxypiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R,5S)-3-(difluoromethyl)-5-hydroxypiperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R,5S)-3-(difluoromethyl)-5-hydroxypiperidin-1-yl]ethanone is CC(=O)N1C[C@@H](O)C[C@@H](C(F)F)C1.
What is the InChIKey of 1-[(3R,5S)-3-(difluoromethyl)-5-hydroxypiperidin-1-yl]ethanone?
The InChIKey is WWEVEWGDCBRULN-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-5(12)11-3-6(8(9)10)2-7(13)4-11/h6-8,13H,2-4H2,1H3/t6-,7+/m1/s1.
What are the key properties of 1-[(3R,5S)-3-(difluoromethyl)-5-hydroxypiperidin-1-yl]ethanone?
1-[(3R,5S)-3-(difluoromethyl)-5-hydroxypiperidin-1-yl]ethanone has a molecular weight of 193.19 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,5S)-3-(difluoromethyl)-5-hydroxypiperidin-1-yl]ethanone is sourced from PubChem (CID 135264754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).