propane-1,2-diol;trihydrochloride;dihydrofluoride

C3H13Cl3F2O2 — CID 174772875

IUPACpropane-1,2-diol;trihydrochloride;dihydrofluoride
SMILESCC(O)CO.Cl.Cl.Cl.F.F
InChIInChI=1S/C3H8O2.3ClH.2FH/c1-3(5)2-4;;;;;/h3-5H,2H2,1H3;5*1H
InChIKeyGKTVXEHFEPVCDF-UHFFFAOYSA-N
MW225.49 g/mol
LogP0.93
Rot. Bonds1

About propane-1,2-diol;trihydrochloride;dihydrofluoride

propane-1,2-diol;trihydrochloride;dihydrofluoride (PubChem CID 174772875) has the molecular formula C3H13Cl3F2O2 and a molecular weight of 225.49 g/mol. Its IUPAC name is propane-1,2-diol;trihydrochloride;dihydrofluoride.

Molecular Properties

Compound Namepropane-1,2-diol;trihydrochloride;dihydrofluoride
PubChem CID174772875
Molecular FormulaC3H13Cl3F2O2
Molecular Weight225.49 g/mol
Exact Mass223.99
IUPAC Namepropane-1,2-diol;trihydrochloride;dihydrofluoride
SMILESCC(O)CO.Cl.Cl.Cl.F.F
InChIInChI=1S/C3H8O2.3ClH.2FH/c1-3(5)2-4;;;;;/h3-5H,2H2,1H3;5*1H
InChIKeyGKTVXEHFEPVCDF-UHFFFAOYSA-N
XLogP0.93
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.49
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propane-1,2-diol;trihydrochloride;dihydrofluoride?
The IUPAC name of propane-1,2-diol;trihydrochloride;dihydrofluoride (CID 174772875) is propane-1,2-diol;trihydrochloride;dihydrofluoride.
What is the SMILES notation for propane-1,2-diol;trihydrochloride;dihydrofluoride?
The canonical SMILES for propane-1,2-diol;trihydrochloride;dihydrofluoride is CC(O)CO.Cl.Cl.Cl.F.F.
What is the InChIKey of propane-1,2-diol;trihydrochloride;dihydrofluoride?
The InChIKey is GKTVXEHFEPVCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.3ClH.2FH/c1-3(5)2-4;;;;;/h3-5H,2H2,1H3;5*1H.
What are the key properties of propane-1,2-diol;trihydrochloride;dihydrofluoride?
propane-1,2-diol;trihydrochloride;dihydrofluoride has a molecular weight of 225.49 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,2-diol;trihydrochloride;dihydrofluoride is sourced from PubChem (CID 174772875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).