Pentafluoropropanoic acid sodium

C3HF5NaO2 — CID 71650614

IUPAC—
SMILESO=C(O)C(F)(F)C(F)(F)F.[Na]
InChIInChI=1S/C3HF5O2.Na/c4-2(5,1(9)10)3(6,7)8;/h(H,9,10);
InChIKeyJEBRSEGXGIEJTP-UHFFFAOYSA-N
MW187.02 g/mol
LogP0.89
Rot. Bonds1

About Pentafluoropropanoic acid sodium

Pentafluoropropanoic acid sodium (PubChem CID 71650614) has the molecular formula C3HF5NaO2 and a molecular weight of 187.02 g/mol.

Molecular Properties

Compound NamePentafluoropropanoic acid sodium
PubChem CID71650614
Molecular FormulaC3HF5NaO2
Molecular Weight187.02 g/mol
Exact Mass186.98
IUPAC Name—
SMILESO=C(O)C(F)(F)C(F)(F)F.[Na]
InChIInChI=1S/C3HF5O2.Na/c4-2(5,1(9)10)3(6,7)8;/h(H,9,10);
InChIKeyJEBRSEGXGIEJTP-UHFFFAOYSA-N
XLogP0.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.02
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of Pentafluoropropanoic acid sodium?
The IUPAC name of Pentafluoropropanoic acid sodium (CID 71650614) is not available.
What is the SMILES notation for Pentafluoropropanoic acid sodium?
The canonical SMILES for Pentafluoropropanoic acid sodium is O=C(O)C(F)(F)C(F)(F)F.[Na].
What is the InChIKey of Pentafluoropropanoic acid sodium?
The InChIKey is JEBRSEGXGIEJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF5O2.Na/c4-2(5,1(9)10)3(6,7)8;/h(H,9,10);.
What are the key properties of Pentafluoropropanoic acid sodium?
Pentafluoropropanoic acid sodium has a molecular weight of 187.02 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Pentafluoropropanoic acid sodium is sourced from PubChem (CID 71650614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).