1-[1-(4-fluorophenyl)-2-(pentafluoro-λ6-sulfanyl)oxyethyl]piperidin-2-one

C13H15F6NO2S — CID 58122386

IUPAC1-[1-(4-fluorophenyl)-2-(pentafluoro-λ6-sulfanyl)oxyethyl]piperidin-2-one
SMILESO=C1CCCCN1C(COS(F)(F)(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C13H15F6NO2S/c14-11-6-4-10(5-7-11)12(9-22-23(15,16,17,18)19)20-8-2-1-3-13(20)21/h4-7,12H,1-3,8-9H2
InChIKeyHFTKDAFCNQNCDW-UHFFFAOYSA-N
MW363.32 g/mol
LogP5.11
Rot. Bonds5

About 1-[1-(4-fluorophenyl)-2-(pentafluoro-λ6-sulfanyl)oxyethyl]piperidin-2-one

1-[1-(4-fluorophenyl)-2-(pentafluoro-λ6-sulfanyl)oxyethyl]piperidin-2-one (PubChem CID 58122386) has the molecular formula C13H15F6NO2S and a molecular weight of 363.32 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-2-(pentafluoro-λ6-sulfanyl)oxyethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-2-(pentafluoro-λ6-sulfanyl)oxyethyl]piperidin-2-one
PubChem CID58122386
Molecular FormulaC13H15F6NO2S
Molecular Weight363.32 g/mol
Exact Mass363.07
IUPAC Name1-[1-(4-fluorophenyl)-2-(pentafluoro-λ6-sulfanyl)oxyethyl]piperidin-2-one
SMILESO=C1CCCCN1C(COS(F)(F)(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C13H15F6NO2S/c14-11-6-4-10(5-7-11)12(9-22-23(15,16,17,18)19)20-8-2-1-3-13(20)21/h4-7,12H,1-3,8-9H2
InChIKeyHFTKDAFCNQNCDW-UHFFFAOYSA-N
XLogP5.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.32
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Dimethyl-1-(3-phenylmorpholin-4-yl)propan-1-one
CID 110728326
Morpholine, 2,5-dimethyl-3-phenyl-4-(2-propylvaleryl)-
CID 3064263
(6R)-1-[(1R)-2-hydroxy-1-phenylethyl]-6-methylpiperidin-2-one
CID 10889819
(6R)-1-[(1R)-2-hydroxy-1-phenylethyl]-6-propylpiperidin-2-one
CID 15923313
(6R)-6-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one
CID 15923314
2-(3,4-Difluorophenyl)-2-(2-oxopiperidin-1-yl)acetic acid
CID 23092029
(4S,9aR)-4-(3,4,5-trifluorophenyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one
CID 42636953
(4R,9aS)-4-(3,4,5-Trifluorophenyl)hexahydropyrido[2,1-c][1,4]oxazin-6(1H)-one
CID 44124045
4-(3,4,5-trifluorophenyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one
CID 44124153
1-[2-[Tert-butyl(dimethyl)silyl]oxy-1-[4-(pentafluoro-lambda6-sulfanyl)phenyl]ethyl]piperidin-2-one
CID 58122328
1-[2-[Tert-butyl(dimethyl)silyl]oxy-1-[3-(pentafluoro-lambda6-sulfanyl)phenyl]ethyl]piperidin-2-one
CID 58122431
4-(4-fluorophenyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one
CID 58169606

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-2-(pentafluoro-λ6-sulfanyl)oxyethyl]piperidin-2-one?
The IUPAC name of 1-[1-(4-fluorophenyl)-2-(pentafluoro-λ6-sulfanyl)oxyethyl]piperidin-2-one (CID 58122386) is 1-[1-(4-fluorophenyl)-2-(pentafluoro-λ6-sulfanyl)oxyethyl]piperidin-2-one.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-2-(pentafluoro-λ6-sulfanyl)oxyethyl]piperidin-2-one?
The canonical SMILES for 1-[1-(4-fluorophenyl)-2-(pentafluoro-λ6-sulfanyl)oxyethyl]piperidin-2-one is O=C1CCCCN1C(COS(F)(F)(F)(F)F)c1ccc(F)cc1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-2-(pentafluoro-λ6-sulfanyl)oxyethyl]piperidin-2-one?
The InChIKey is HFTKDAFCNQNCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F6NO2S/c14-11-6-4-10(5-7-11)12(9-22-23(15,16,17,18)19)20-8-2-1-3-13(20)21/h4-7,12H,1-3,8-9H2.
What are the key properties of 1-[1-(4-fluorophenyl)-2-(pentafluoro-λ6-sulfanyl)oxyethyl]piperidin-2-one?
1-[1-(4-fluorophenyl)-2-(pentafluoro-λ6-sulfanyl)oxyethyl]piperidin-2-one has a molecular weight of 363.32 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-2-(pentafluoro-λ6-sulfanyl)oxyethyl]piperidin-2-one is sourced from PubChem (CID 58122386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).