2,2,3,3-tetrafluoropent-4-enoic acid

C5H4F4O2 — CID 21323012

IUPAC2,2,3,3-tetrafluoropent-4-enoic acid
SMILESC=CC(F)(F)C(F)(F)C(=O)O
InChIInChI=1S/C5H4F4O2/c1-2-4(6,7)5(8,9)3(10)11/h2H,1H2,(H,10,11)
InChIKeyHQHLGMMWDUHTSB-UHFFFAOYSA-N
MW172.08 g/mol
LogP1.53
Rot. Bonds3

About 2,2,3,3-tetrafluoropent-4-enoic acid

2,2,3,3-tetrafluoropent-4-enoic acid (PubChem CID 21323012) has the molecular formula C5H4F4O2 and a molecular weight of 172.08 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoropent-4-enoic acid.

Molecular Properties

Compound Name2,2,3,3-tetrafluoropent-4-enoic acid
PubChem CID21323012
Molecular FormulaC5H4F4O2
Molecular Weight172.08 g/mol
Exact Mass172.01
IUPAC Name2,2,3,3-tetrafluoropent-4-enoic acid
SMILESC=CC(F)(F)C(F)(F)C(=O)O
InChIInChI=1S/C5H4F4O2/c1-2-4(6,7)5(8,9)3(10)11/h2H,1H2,(H,10,11)
InChIKeyHQHLGMMWDUHTSB-UHFFFAOYSA-N
XLogP1.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.08
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2,3,3-tetrafluoropent-4-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoropent-4-enoic acid?
The IUPAC name of 2,2,3,3-tetrafluoropent-4-enoic acid (CID 21323012) is 2,2,3,3-tetrafluoropent-4-enoic acid.
What is the SMILES notation for 2,2,3,3-tetrafluoropent-4-enoic acid?
The canonical SMILES for 2,2,3,3-tetrafluoropent-4-enoic acid is C=CC(F)(F)C(F)(F)C(=O)O.
What is the InChIKey of 2,2,3,3-tetrafluoropent-4-enoic acid?
The InChIKey is HQHLGMMWDUHTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F4O2/c1-2-4(6,7)5(8,9)3(10)11/h2H,1H2,(H,10,11).
What are the key properties of 2,2,3,3-tetrafluoropent-4-enoic acid?
2,2,3,3-tetrafluoropent-4-enoic acid has a molecular weight of 172.08 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoropent-4-enoic acid is sourced from PubChem (CID 21323012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).