1-(4,4-difluoro-3,3-dihydroxypiperidin-1-yl)-2,2,2-trifluoroethanone

C7H8F5NO3 — CID 135039672

IUPAC1-(4,4-difluoro-3,3-dihydroxypiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CCC(F)(F)C(O)(O)C1)C(F)(F)F
InChIInChI=1S/C7H8F5NO3/c8-5(9)1-2-13(3-6(5,15)16)4(14)7(10,11)12/h15-16H,1-3H2
InChIKeyHGYKPKVLPORHKK-UHFFFAOYSA-N
MW249.13 g/mol
LogP0.10
Rot. Bonds

About 1-(4,4-difluoro-3,3-dihydroxypiperidin-1-yl)-2,2,2-trifluoroethanone

1-(4,4-difluoro-3,3-dihydroxypiperidin-1-yl)-2,2,2-trifluoroethanone (PubChem CID 135039672) has the molecular formula C7H8F5NO3 and a molecular weight of 249.13 g/mol. Its IUPAC name is 1-(4,4-difluoro-3,3-dihydroxypiperidin-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(4,4-difluoro-3,3-dihydroxypiperidin-1-yl)-2,2,2-trifluoroethanone
PubChem CID135039672
Molecular FormulaC7H8F5NO3
Molecular Weight249.13 g/mol
Exact Mass249.04
IUPAC Name1-(4,4-difluoro-3,3-dihydroxypiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CCC(F)(F)C(O)(O)C1)C(F)(F)F
InChIInChI=1S/C7H8F5NO3/c8-5(9)1-2-13(3-6(5,15)16)4(14)7(10,11)12/h15-16H,1-3H2
InChIKeyHGYKPKVLPORHKK-UHFFFAOYSA-N
XLogP0.10
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.13
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(4,4-difluoro-3,3-dihydroxypiperidin-1-yl)-2,2,2-trifluoroethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4,4-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone
CID 45081156
1-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2,2,2-trifluoroethanone
CID 91172286
3-ethenyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxylic acid
CID 167741034
N,3-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide
CID 106322158
2,2,2-trifluoro-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107406145
1-(3,3-dimethylpyrrolidin-1-yl)-2,2-difluoropropan-1-one
CID 126993688
2,2,2-trifluoro-1-[3-fluoro-3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 162464598
1-(7,7-dimethyl-1,4-thiazepan-4-yl)-2,2,2-trifluoroethanone
CID 107300809
3-amino-1-(3,3-difluoropyrrolidin-1-yl)-2,2-difluoropropan-1-one
CID 130706008
8-(2,2,2-trifluoroacetyl)-2-oxa-8-azaspiro[4.5]decane-3-carboxylic acid
CID 167715074
1-(4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone
CID 88924194
(3R)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 125183618

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoro-3,3-dihydroxypiperidin-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(4,4-difluoro-3,3-dihydroxypiperidin-1-yl)-2,2,2-trifluoroethanone (CID 135039672) is 1-(4,4-difluoro-3,3-dihydroxypiperidin-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(4,4-difluoro-3,3-dihydroxypiperidin-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(4,4-difluoro-3,3-dihydroxypiperidin-1-yl)-2,2,2-trifluoroethanone is O=C(N1CCC(F)(F)C(O)(O)C1)C(F)(F)F.
What is the InChIKey of 1-(4,4-difluoro-3,3-dihydroxypiperidin-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is HGYKPKVLPORHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F5NO3/c8-5(9)1-2-13(3-6(5,15)16)4(14)7(10,11)12/h15-16H,1-3H2.
What are the key properties of 1-(4,4-difluoro-3,3-dihydroxypiperidin-1-yl)-2,2,2-trifluoroethanone?
1-(4,4-difluoro-3,3-dihydroxypiperidin-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 249.13 g/mol, XLogP of 0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoro-3,3-dihydroxypiperidin-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 135039672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).