2,2,3,3-tetrafluoropropanoate

C3HF4O2- — CID 3299913

IUPAC2,2,3,3-tetrafluoropropanoate
SMILESO=C([O-])C(F)(F)C(F)F
InChIInChI=1S/C3H2F4O2/c4-1(5)3(6,7)2(8)9/h1H,(H,8,9)/p-1
InChIKeyPXRROZVNOOEPPZ-UHFFFAOYSA-M
MW145.03 g/mol
LogP-0.36
Rot. Bonds2

About 2,2,3,3-tetrafluoropropanoate

2,2,3,3-tetrafluoropropanoate (PubChem CID 3299913) has the molecular formula C3HF4O2- and a molecular weight of 145.03 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoropropanoate.

Molecular Properties

Compound Name2,2,3,3-tetrafluoropropanoate
PubChem CID3299913
Molecular FormulaC3HF4O2-
Molecular Weight145.03 g/mol
Exact Mass144.99
IUPAC Name2,2,3,3-tetrafluoropropanoate
SMILESO=C([O-])C(F)(F)C(F)F
InChIInChI=1S/C3H2F4O2/c4-1(5)3(6,7)2(8)9/h1H,(H,8,9)/p-1
InChIKeyPXRROZVNOOEPPZ-UHFFFAOYSA-M
XLogP-0.36
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.03
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,2,3,3-tetrafluoropropanoate?
The IUPAC name of 2,2,3,3-tetrafluoropropanoate (CID 3299913) is 2,2,3,3-tetrafluoropropanoate.
What is the SMILES notation for 2,2,3,3-tetrafluoropropanoate?
The canonical SMILES for 2,2,3,3-tetrafluoropropanoate is O=C([O-])C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoropropanoate?
The InChIKey is PXRROZVNOOEPPZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H2F4O2/c4-1(5)3(6,7)2(8)9/h1H,(H,8,9)/p-1.
What are the key properties of 2,2,3,3-tetrafluoropropanoate?
2,2,3,3-tetrafluoropropanoate has a molecular weight of 145.03 g/mol, XLogP of -0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoropropanoate is sourced from PubChem (CID 3299913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).