2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite

C12H15F4NO4 — CID 177015515

IUPAC2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
SMILESCC1OCCC(O)C1O.FOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C6H3F4NO.C6H12O3/c7-6(8,9)4-2-1-3-5(11-4)12-10;1-4-6(8)5(7)2-3-9-4/h1-3H;4-8H,2-3H2,1H3
InChIKeyPGKMMECGDNHNIR-UHFFFAOYSA-N
MW313.25 g/mol
LogP1.88
Rot. Bonds1

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

2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite (PubChem CID 177015515) has the molecular formula C12H15F4NO4 and a molecular weight of 313.25 g/mol. Its IUPAC name is 2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite.

Molecular Properties

Compound Name2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
PubChem CID177015515
Molecular FormulaC12H15F4NO4
Molecular Weight313.25 g/mol
Exact Mass313.09
IUPAC Name2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
SMILESCC1OCCC(O)C1O.FOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C6H3F4NO.C6H12O3/c7-6(8,9)4-2-1-3-5(11-4)12-10;1-4-6(8)5(7)2-3-9-4/h1-3H;4-8H,2-3H2,1H3
InChIKeyPGKMMECGDNHNIR-UHFFFAOYSA-N
XLogP1.88
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-((6-(Trifluoromethyl)pyridin-2-yl)oxy)ethan-1-ol
CID 84596667
1,1,1,3,3,3-Hexafluoro-2-[(6-methylpyridin-2-yl)oxymethyl]propan-2-ol
CID 124085516
1,1,1-Trifluoro-2-methyl-3-[(6-methyl-2-pyridinyl)oxy]propan-2-ol
CID 124087880
2-methyl-6-[(2R)-1,1,1-trifluoro-3-methoxybut-3-en-2-yl]oxypyridine
CID 166817822
2-methyl-6-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxypyridine
CID 170263788
(2R,3R,4S,5S)-2-(2-methylprop-2-enyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171556566
(2R,3R,4S,5R,6R)-6-[(1S)-1-hydroxyethyl]-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171556719
[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl (2Z)-N-methylpenta-2,4-dienimidate
CID 171556723
2-(Hydroxymethyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyridine
CID 171556780
[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanol
CID 171556900
lithium (2S,3S,4S)-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]pentane-2,3-diol
CID 171556931
4-ethynyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 171556975

Frequently Asked Questions

What is the IUPAC name of 2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The IUPAC name of 2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite (CID 177015515) is 2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite.
What is the SMILES notation for 2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The canonical SMILES for 2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite is CC1OCCC(O)C1O.FOc1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The InChIKey is PGKMMECGDNHNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F4NO.C6H12O3/c7-6(8,9)4-2-1-3-5(11-4)12-10;1-4-6(8)5(7)2-3-9-4/h1-3H;4-8H,2-3H2,1H3.
What are the key properties of 2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite has a molecular weight of 313.25 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite is sourced from PubChem (CID 177015515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).