azane;propanoic acid;hydrofluoride

C3H10FNO2 — CID 174943472

IUPACazane;propanoic acid;hydrofluoride
SMILESCCC(=O)O.F.N
InChIInChI=1S/C3H6O2.FH.H3N/c1-2-3(4)5;;/h2H2,1H3,(H,4,5);1H;1H3
InChIKeyPPUJBLASQVYIED-UHFFFAOYSA-N
MW111.12 g/mol
LogP0.80
Rot. Bonds1

About azane;propanoic acid;hydrofluoride

azane;propanoic acid;hydrofluoride (PubChem CID 174943472) has the molecular formula C3H10FNO2 and a molecular weight of 111.12 g/mol. Its IUPAC name is azane;propanoic acid;hydrofluoride.

Molecular Properties

Compound Nameazane;propanoic acid;hydrofluoride
PubChem CID174943472
Molecular FormulaC3H10FNO2
Molecular Weight111.12 g/mol
Exact Mass111.07
IUPAC Nameazane;propanoic acid;hydrofluoride
SMILESCCC(=O)O.F.N
InChIInChI=1S/C3H6O2.FH.H3N/c1-2-3(4)5;;/h2H2,1H3,(H,4,5);1H;1H3
InChIKeyPPUJBLASQVYIED-UHFFFAOYSA-N
XLogP0.80
TPSA72.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.12
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azane;propanoic acid;hydrofluoride?
The IUPAC name of azane;propanoic acid;hydrofluoride (CID 174943472) is azane;propanoic acid;hydrofluoride.
What is the SMILES notation for azane;propanoic acid;hydrofluoride?
The canonical SMILES for azane;propanoic acid;hydrofluoride is CCC(=O)O.F.N.
What is the InChIKey of azane;propanoic acid;hydrofluoride?
The InChIKey is PPUJBLASQVYIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.FH.H3N/c1-2-3(4)5;;/h2H2,1H3,(H,4,5);1H;1H3.
What are the key properties of azane;propanoic acid;hydrofluoride?
azane;propanoic acid;hydrofluoride has a molecular weight of 111.12 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;propanoic acid;hydrofluoride is sourced from PubChem (CID 174943472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).