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

C13H19F4NO5 — CID 177015261

IUPACmethanol;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
SMILESCC1OCCC(O)C1O.CO.FOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C6H3F4NO.C6H12O3.CH4O/c7-6(8,9)4-2-1-3-5(11-4)12-10;1-4-6(8)5(7)2-3-9-4;1-2/h1-3H;4-8H,2-3H2,1H3;2H,1H3
InChIKeyGYFCGDICKSUMLM-UHFFFAOYSA-N
MW345.29 g/mol
LogP1.49
Rot. Bonds1

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

methanol;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite (PubChem CID 177015261) has the molecular formula C13H19F4NO5 and a molecular weight of 345.29 g/mol. Its IUPAC name is methanol;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite.

Molecular Properties

Compound Namemethanol;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
PubChem CID177015261
Molecular FormulaC13H19F4NO5
Molecular Weight345.29 g/mol
Exact Mass345.12
IUPAC Namemethanol;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
SMILESCC1OCCC(O)C1O.CO.FOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C6H3F4NO.C6H12O3.CH4O/c7-6(8,9)4-2-1-3-5(11-4)12-10;1-4-6(8)5(7)2-3-9-4;1-2/h1-3H;4-8H,2-3H2,1H3;2H,1H3
InChIKeyGYFCGDICKSUMLM-UHFFFAOYSA-N
XLogP1.49
TPSA92.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.29
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methanol;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The IUPAC name of methanol;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite (CID 177015261) is methanol;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite.
What is the SMILES notation for methanol;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The canonical SMILES for methanol;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite is CC1OCCC(O)C1O.CO.FOc1cccc(C(F)(F)F)n1.
What is the InChIKey of methanol;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The InChIKey is GYFCGDICKSUMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F4NO.C6H12O3.CH4O/c7-6(8,9)4-2-1-3-5(11-4)12-10;1-4-6(8)5(7)2-3-9-4;1-2/h1-3H;4-8H,2-3H2,1H3;2H,1H3.
What are the key properties of methanol;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
methanol;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite has a molecular weight of 345.29 g/mol, XLogP of 1.49, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite is sourced from PubChem (CID 177015261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).