3-methoxypyridazine;2-propan-2-yloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite

C19H25F4N3O5 — CID 178008329

IUPAC3-methoxypyridazine;2-propan-2-yloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
SMILESCC(C)C1OCCC(O)C1O.COc1cccnn1.FOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C8H16O3.C6H3F4NO.C5H6N2O/c1-5(2)8-7(10)6(9)3-4-11-8;7-6(8,9)4-2-1-3-5(11-4)12-10;1-8-5-3-2-4-6-7-5/h5-10H,3-4H2,1-2H3;1-3H;2-4H,1H3
InChIKeyQLWZIDXGCVGTMY-UHFFFAOYSA-N
MW451.42 g/mol
LogP3.00
Rot. Bonds3

About 3-methoxypyridazine;2-propan-2-yloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite

3-methoxypyridazine;2-propan-2-yloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite (PubChem CID 178008329) has the molecular formula C19H25F4N3O5 and a molecular weight of 451.42 g/mol. Its IUPAC name is 3-methoxypyridazine;2-propan-2-yloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite.

Molecular Properties

Compound Name3-methoxypyridazine;2-propan-2-yloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
PubChem CID178008329
Molecular FormulaC19H25F4N3O5
Molecular Weight451.42 g/mol
Exact Mass451.17
IUPAC Name3-methoxypyridazine;2-propan-2-yloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
SMILESCC(C)C1OCCC(O)C1O.COc1cccnn1.FOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C8H16O3.C6H3F4NO.C5H6N2O/c1-5(2)8-7(10)6(9)3-4-11-8;7-6(8,9)4-2-1-3-5(11-4)12-10;1-8-5-3-2-4-6-7-5/h5-10H,3-4H2,1-2H3;1-3H;2-4H,1H3
InChIKeyQLWZIDXGCVGTMY-UHFFFAOYSA-N
XLogP3.00
TPSA106.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(2R,3R,4S,5R,6R)-2-methyl-6-(3-pyridazin-3-yloxyprop-1-ynyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171556953
(2R,3R,4S,5R,6R)-2-methyl-6-(pyridazin-3-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171557042
(2R,3R,4S,5S)-2-(pyridazin-3-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171557180
(2R,3R,4S,5R,6R)-2-methyl-6-(2-pyridin-4-ylethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171557219
tert-butyl 3-[[6-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyridazin-3-yl]methyl]azetidine-1-carboxylate
CID 171557232
tert-butyl 3-[[6-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyridazin-3-yl]methyl]pyrrolidine-1-carboxylate
CID 171557371
2-(Pyridazin-4-yloxymethyl)oxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 171557638
(2R,3R,4S,5R,6R)-6-[(6-ethynylpyridazin-3-yl)oxymethyl]-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171558253
(2R,3R,4S,5S)-2-(pyridin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171558342
(2R,3R,4S,5R,6S)-2-methyl-6-pyridin-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171558349
tert-butyl 4-[[6-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyridazin-3-yl]methyl]piperidine-1-carboxylate
CID 171558415
(2R,3R,4S,5S)-2-(pyridazin-4-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171558434

Frequently Asked Questions

What is the IUPAC name of 3-methoxypyridazine;2-propan-2-yloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The IUPAC name of 3-methoxypyridazine;2-propan-2-yloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite (CID 178008329) is 3-methoxypyridazine;2-propan-2-yloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite.
What is the SMILES notation for 3-methoxypyridazine;2-propan-2-yloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The canonical SMILES for 3-methoxypyridazine;2-propan-2-yloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite is CC(C)C1OCCC(O)C1O.COc1cccnn1.FOc1cccc(C(F)(F)F)n1.
What is the InChIKey of 3-methoxypyridazine;2-propan-2-yloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The InChIKey is QLWZIDXGCVGTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3.C6H3F4NO.C5H6N2O/c1-5(2)8-7(10)6(9)3-4-11-8;7-6(8,9)4-2-1-3-5(11-4)12-10;1-8-5-3-2-4-6-7-5/h5-10H,3-4H2,1-2H3;1-3H;2-4H,1H3.
What are the key properties of 3-methoxypyridazine;2-propan-2-yloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
3-methoxypyridazine;2-propan-2-yloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite has a molecular weight of 451.42 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypyridazine;2-propan-2-yloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite is sourced from PubChem (CID 178008329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).