azane;benzene-1,3-diol;propane-1,2,3-triol;hydrofluoride

C9H18FNO5 — CID 174538918

IUPACazane;benzene-1,3-diol;propane-1,2,3-triol;hydrofluoride
SMILESF.N.OCC(O)CO.Oc1cccc(O)c1
InChIInChI=1S/C6H6O2.C3H8O3.FH.H3N/c7-5-2-1-3-6(8)4-5;4-1-3(6)2-5;;/h1-4,7-8H;3-6H,1-2H2;1H;1H3
InChIKeyCOPSUCLFNPKXEP-UHFFFAOYSA-N
MW239.24 g/mol
LogP-0.26
Rot. Bonds2

About azane;benzene-1,3-diol;propane-1,2,3-triol;hydrofluoride

azane;benzene-1,3-diol;propane-1,2,3-triol;hydrofluoride (PubChem CID 174538918) has the molecular formula C9H18FNO5 and a molecular weight of 239.24 g/mol. Its IUPAC name is azane;benzene-1,3-diol;propane-1,2,3-triol;hydrofluoride.

Molecular Properties

Compound Nameazane;benzene-1,3-diol;propane-1,2,3-triol;hydrofluoride
PubChem CID174538918
Molecular FormulaC9H18FNO5
Molecular Weight239.24 g/mol
Exact Mass239.12
IUPAC Nameazane;benzene-1,3-diol;propane-1,2,3-triol;hydrofluoride
SMILESF.N.OCC(O)CO.Oc1cccc(O)c1
InChIInChI=1S/C6H6O2.C3H8O3.FH.H3N/c7-5-2-1-3-6(8)4-5;4-1-3(6)2-5;;/h1-4,7-8H;3-6H,1-2H2;1H;1H3
InChIKeyCOPSUCLFNPKXEP-UHFFFAOYSA-N
XLogP-0.26
TPSA136.15 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

benzene-1,3-diol;propane-1,2-diol
CID 158855100
3-[N-(2,3-dihydroxypropyl)-3-hydroxyanilino]propane-1,2-diol
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bis(benzene-1,3-diol);hydrate
CID 174320343
bis(benzene-1,3-diol);methane
CID 70633400
benzene-1,3-diol;tris(yttrium)
CID 23386139
benzene-1,3-diol;bis(rutherfordium)
CID 140661178
magnesium;benzene-1,3-diol;oxygen(2-)
CID 158172570
benzene-1,3-diol;phenol
CID 23218590
bis(benzene-1,3-diol);formaldehyde
CID 174734201
3-tritiooxyphenol
CID 118553198
benzene-1,3-diol;formaldehyde;silver
CID 174852688
tetrakis(benzene-1,3-diol);2,4-dimethylpentane;propane
CID 157137279

Frequently Asked Questions

What is the IUPAC name of azane;benzene-1,3-diol;propane-1,2,3-triol;hydrofluoride?
The IUPAC name of azane;benzene-1,3-diol;propane-1,2,3-triol;hydrofluoride (CID 174538918) is azane;benzene-1,3-diol;propane-1,2,3-triol;hydrofluoride.
What is the SMILES notation for azane;benzene-1,3-diol;propane-1,2,3-triol;hydrofluoride?
The canonical SMILES for azane;benzene-1,3-diol;propane-1,2,3-triol;hydrofluoride is F.N.OCC(O)CO.Oc1cccc(O)c1.
What is the InChIKey of azane;benzene-1,3-diol;propane-1,2,3-triol;hydrofluoride?
The InChIKey is COPSUCLFNPKXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.C3H8O3.FH.H3N/c7-5-2-1-3-6(8)4-5;4-1-3(6)2-5;;/h1-4,7-8H;3-6H,1-2H2;1H;1H3.
What are the key properties of azane;benzene-1,3-diol;propane-1,2,3-triol;hydrofluoride?
azane;benzene-1,3-diol;propane-1,2,3-triol;hydrofluoride has a molecular weight of 239.24 g/mol, XLogP of -0.26, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;benzene-1,3-diol;propane-1,2,3-triol;hydrofluoride is sourced from PubChem (CID 174538918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).