2,3,3,3-tetrafluoropropanoic acid

C3H2F4O2 — CID 2782609

IUPAC2,3,3,3-tetrafluoropropanoic acid
SMILESO=C(O)C(F)C(F)(F)F
InChIInChI=1S/C3H2F4O2/c4-1(2(8)9)3(5,6)7/h1H,(H,8,9)
InChIKeyGPKYZQLMEPJAGJ-UHFFFAOYSA-N
MW146.04 g/mol
LogP0.97
Rot. Bonds1

About 2,3,3,3-tetrafluoropropanoic acid

2,3,3,3-tetrafluoropropanoic acid (PubChem CID 2782609) has the molecular formula C3H2F4O2 and a molecular weight of 146.04 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoropropanoic acid.

Molecular Properties

Compound Name2,3,3,3-tetrafluoropropanoic acid
PubChem CID2782609
Molecular FormulaC3H2F4O2
Molecular Weight146.04 g/mol
Exact Mass146.00
IUPAC Name2,3,3,3-tetrafluoropropanoic acid
SMILESO=C(O)C(F)C(F)(F)F
InChIInChI=1S/C3H2F4O2/c4-1(2(8)9)3(5,6)7/h1H,(H,8,9)
InChIKeyGPKYZQLMEPJAGJ-UHFFFAOYSA-N
XLogP0.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.04
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoropropanoic acid?
The IUPAC name of 2,3,3,3-tetrafluoropropanoic acid (CID 2782609) is 2,3,3,3-tetrafluoropropanoic acid.
What is the SMILES notation for 2,3,3,3-tetrafluoropropanoic acid?
The canonical SMILES for 2,3,3,3-tetrafluoropropanoic acid is O=C(O)C(F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoropropanoic acid?
The InChIKey is GPKYZQLMEPJAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F4O2/c4-1(2(8)9)3(5,6)7/h1H,(H,8,9).
What are the key properties of 2,3,3,3-tetrafluoropropanoic acid?
2,3,3,3-tetrafluoropropanoic acid has a molecular weight of 146.04 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoropropanoic acid is sourced from PubChem (CID 2782609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).