propanoic acid;dihydrofluoride

C6H14F2O4 — CID 173419874

IUPACpropanoic acid;dihydrofluoride
SMILESCCC(=O)O.CCC(=O)O.F.F
InChIInChI=1S/2C3H6O2.2FH/c2*1-2-3(4)5;;/h2*2H2,1H3,(H,4,5);2*1H
InChIKeyGOSNHTCDUUMQEP-UHFFFAOYSA-N
MW188.17 g/mol
LogP1.27
Rot. Bonds2

About propanoic acid;dihydrofluoride

propanoic acid;dihydrofluoride (PubChem CID 173419874) has the molecular formula C6H14F2O4 and a molecular weight of 188.17 g/mol. Its IUPAC name is propanoic acid;dihydrofluoride.

Molecular Properties

Compound Namepropanoic acid;dihydrofluoride
PubChem CID173419874
Molecular FormulaC6H14F2O4
Molecular Weight188.17 g/mol
Exact Mass188.09
IUPAC Namepropanoic acid;dihydrofluoride
SMILESCCC(=O)O.CCC(=O)O.F.F
InChIInChI=1S/2C3H6O2.2FH/c2*1-2-3(4)5;;/h2*2H2,1H3,(H,4,5);2*1H
InChIKeyGOSNHTCDUUMQEP-UHFFFAOYSA-N
XLogP1.27
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propanoic acid;dihydrofluoride?
The IUPAC name of propanoic acid;dihydrofluoride (CID 173419874) is propanoic acid;dihydrofluoride.
What is the SMILES notation for propanoic acid;dihydrofluoride?
The canonical SMILES for propanoic acid;dihydrofluoride is CCC(=O)O.CCC(=O)O.F.F.
What is the InChIKey of propanoic acid;dihydrofluoride?
The InChIKey is GOSNHTCDUUMQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6O2.2FH/c2*1-2-3(4)5;;/h2*2H2,1H3,(H,4,5);2*1H.
What are the key properties of propanoic acid;dihydrofluoride?
propanoic acid;dihydrofluoride has a molecular weight of 188.17 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propanoic acid;dihydrofluoride is sourced from PubChem (CID 173419874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).