1-propan-2-ylpiperidine-3,4-diol;[6-(trifluoromethyl)pyrazin-2-yl] hypofluorite

C13H19F4N3O3 — CID 171557425

IUPAC1-propan-2-ylpiperidine-3,4-diol;[6-(trifluoromethyl)pyrazin-2-yl] hypofluorite
SMILESCC(C)N1CCC(O)C(O)C1.FOc1cncc(C(F)(F)F)n1
InChIInChI=1S/C8H17NO2.C5H2F4N2O/c1-6(2)9-4-3-7(10)8(11)5-9;6-5(7,8)3-1-10-2-4(11-3)12-9/h6-8,10-11H,3-5H2,1-2H3;1-2H
InChIKeyXNZMFZKAVJQWIK-UHFFFAOYSA-N
MW341.31 g/mol
LogP1.58
Rot. Bonds2

About 1-propan-2-ylpiperidine-3,4-diol;[6-(trifluoromethyl)pyrazin-2-yl] hypofluorite

1-propan-2-ylpiperidine-3,4-diol;[6-(trifluoromethyl)pyrazin-2-yl] hypofluorite (PubChem CID 171557425) has the molecular formula C13H19F4N3O3 and a molecular weight of 341.31 g/mol. Its IUPAC name is 1-propan-2-ylpiperidine-3,4-diol;[6-(trifluoromethyl)pyrazin-2-yl] hypofluorite.

Molecular Properties

Compound Name1-propan-2-ylpiperidine-3,4-diol;[6-(trifluoromethyl)pyrazin-2-yl] hypofluorite
PubChem CID171557425
Molecular FormulaC13H19F4N3O3
Molecular Weight341.31 g/mol
Exact Mass341.14
IUPAC Name1-propan-2-ylpiperidine-3,4-diol;[6-(trifluoromethyl)pyrazin-2-yl] hypofluorite
SMILESCC(C)N1CCC(O)C(O)C1.FOc1cncc(C(F)(F)F)n1
InChIInChI=1S/C8H17NO2.C5H2F4N2O/c1-6(2)9-4-3-7(10)8(11)5-9;6-5(7,8)3-1-10-2-4(11-3)12-9/h6-8,10-11H,3-5H2,1-2H3;1-2H
InChIKeyXNZMFZKAVJQWIK-UHFFFAOYSA-N
XLogP1.58
TPSA78.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,4S,5S)-1-propan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol
CID 171557903

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylpiperidine-3,4-diol;[6-(trifluoromethyl)pyrazin-2-yl] hypofluorite?
The IUPAC name of 1-propan-2-ylpiperidine-3,4-diol;[6-(trifluoromethyl)pyrazin-2-yl] hypofluorite (CID 171557425) is 1-propan-2-ylpiperidine-3,4-diol;[6-(trifluoromethyl)pyrazin-2-yl] hypofluorite.
What is the SMILES notation for 1-propan-2-ylpiperidine-3,4-diol;[6-(trifluoromethyl)pyrazin-2-yl] hypofluorite?
The canonical SMILES for 1-propan-2-ylpiperidine-3,4-diol;[6-(trifluoromethyl)pyrazin-2-yl] hypofluorite is CC(C)N1CCC(O)C(O)C1.FOc1cncc(C(F)(F)F)n1.
What is the InChIKey of 1-propan-2-ylpiperidine-3,4-diol;[6-(trifluoromethyl)pyrazin-2-yl] hypofluorite?
The InChIKey is XNZMFZKAVJQWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.C5H2F4N2O/c1-6(2)9-4-3-7(10)8(11)5-9;6-5(7,8)3-1-10-2-4(11-3)12-9/h6-8,10-11H,3-5H2,1-2H3;1-2H.
What are the key properties of 1-propan-2-ylpiperidine-3,4-diol;[6-(trifluoromethyl)pyrazin-2-yl] hypofluorite?
1-propan-2-ylpiperidine-3,4-diol;[6-(trifluoromethyl)pyrazin-2-yl] hypofluorite has a molecular weight of 341.31 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpiperidine-3,4-diol;[6-(trifluoromethyl)pyrazin-2-yl] hypofluorite is sourced from PubChem (CID 171557425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).