1-(1,2,4-oxadiazol-3-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite

C13H14F4N4O4 — CID 178007954

IUPAC1-(1,2,4-oxadiazol-3-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
SMILESFOc1cccc(C(F)(F)F)n1.OC1CCN(c2ncon2)CC1O
InChIInChI=1S/C7H11N3O3.C6H3F4NO/c11-5-1-2-10(3-6(5)12)7-8-4-13-9-7;7-6(8,9)4-2-1-3-5(11-4)12-10/h4-6,11-12H,1-3H2;1-3H
InChIKeyWWTQSAOYHKPRPX-UHFFFAOYSA-N
MW366.27 g/mol
LogP1.37
Rot. Bonds2

About 1-(1,2,4-oxadiazol-3-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite

1-(1,2,4-oxadiazol-3-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite (PubChem CID 178007954) has the molecular formula C13H14F4N4O4 and a molecular weight of 366.27 g/mol. Its IUPAC name is 1-(1,2,4-oxadiazol-3-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite.

Molecular Properties

Compound Name1-(1,2,4-oxadiazol-3-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
PubChem CID178007954
Molecular FormulaC13H14F4N4O4
Molecular Weight366.27 g/mol
Exact Mass366.10
IUPAC Name1-(1,2,4-oxadiazol-3-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
SMILESFOc1cccc(C(F)(F)F)n1.OC1CCN(c2ncon2)CC1O
InChIInChI=1S/C7H11N3O3.C6H3F4NO/c11-5-1-2-10(3-6(5)12)7-8-4-13-9-7;7-6(8,9)4-2-1-3-5(11-4)12-10/h4-6,11-12H,1-3H2;1-3H
InChIKeyWWTQSAOYHKPRPX-UHFFFAOYSA-N
XLogP1.37
TPSA104.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.27
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-Methoxy-6-(trifluoromethyl)pyridine;1-(1,2,4-oxadiazol-3-yl)piperidine-3,4-diol
CID 171557352
(3S,4S,5S)-1-(1,2,4-oxadiazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
CID 171557445
(3S,4S,5S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
CID 177777713
Ethyl 3-(3,4-dihydroxypiperidin-1-yl)-1,2,4-oxadiazole-5-carboxylate;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 178007514

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-oxadiazol-3-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The IUPAC name of 1-(1,2,4-oxadiazol-3-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite (CID 178007954) is 1-(1,2,4-oxadiazol-3-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite.
What is the SMILES notation for 1-(1,2,4-oxadiazol-3-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The canonical SMILES for 1-(1,2,4-oxadiazol-3-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite is FOc1cccc(C(F)(F)F)n1.OC1CCN(c2ncon2)CC1O.
What is the InChIKey of 1-(1,2,4-oxadiazol-3-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The InChIKey is WWTQSAOYHKPRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3.C6H3F4NO/c11-5-1-2-10(3-6(5)12)7-8-4-13-9-7;7-6(8,9)4-2-1-3-5(11-4)12-10/h4-6,11-12H,1-3H2;1-3H.
What are the key properties of 1-(1,2,4-oxadiazol-3-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
1-(1,2,4-oxadiazol-3-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite has a molecular weight of 366.27 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-oxadiazol-3-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite is sourced from PubChem (CID 178007954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).