1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite

C14H16F4N4O4 — CID 178007496

IUPAC1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
SMILESCc1nnc(N2CCC(O)C(O)C2)o1.FOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C8H13N3O3.C6H3F4NO/c1-5-9-10-8(14-5)11-3-2-6(12)7(13)4-11;7-6(8,9)4-2-1-3-5(11-4)12-10/h6-7,12-13H,2-4H2,1H3;1-3H
InChIKeyAOYMXRDJZVUGGX-UHFFFAOYSA-N
MW380.30 g/mol
LogP1.67
Rot. Bonds2

About 1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite

1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite (PubChem CID 178007496) has the molecular formula C14H16F4N4O4 and a molecular weight of 380.30 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
PubChem CID178007496
Molecular FormulaC14H16F4N4O4
Molecular Weight380.30 g/mol
Exact Mass380.11
IUPAC Name1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
SMILESCc1nnc(N2CCC(O)C(O)C2)o1.FOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C8H13N3O3.C6H3F4NO/c1-5-9-10-8(14-5)11-3-2-6(12)7(13)4-11;7-6(8,9)4-2-1-3-5(11-4)12-10/h6-7,12-13H,2-4H2,1H3;1-3H
InChIKeyAOYMXRDJZVUGGX-UHFFFAOYSA-N
XLogP1.67
TPSA104.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(3aS,7S,7aR)-2,2-dimethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine
CID 171557753
(3S,4S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
CID 171557987
N'-acetyl-3,4-dihydroxypiperidine-1-carbohydrazide;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 177015456
1-(5-Phenyl-1,3,4-oxadiazol-2-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 178008712

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The IUPAC name of 1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite (CID 178007496) is 1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite.
What is the SMILES notation for 1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The canonical SMILES for 1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite is Cc1nnc(N2CCC(O)C(O)C2)o1.FOc1cccc(C(F)(F)F)n1.
What is the InChIKey of 1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The InChIKey is AOYMXRDJZVUGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3.C6H3F4NO/c1-5-9-10-8(14-5)11-3-2-6(12)7(13)4-11;7-6(8,9)4-2-1-3-5(11-4)12-10/h6-7,12-13H,2-4H2,1H3;1-3H.
What are the key properties of 1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite has a molecular weight of 380.30 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite is sourced from PubChem (CID 178007496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).