2,2,3,4-tetrafluorobut-3-enoic acid

C4H2F4O2 — CID 23268867

IUPAC2,2,3,4-tetrafluorobut-3-enoic acid
SMILESO=C(O)C(F)(F)C(F)=CF
InChIInChI=1S/C4H2F4O2/c5-1-2(6)4(7,8)3(9)10/h1H,(H,9,10)
InChIKeyBAMJUHCNDBQFII-UHFFFAOYSA-N
MW158.05 g/mol
LogP1.49
Rot. Bonds2

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

2,2,3,4-tetrafluorobut-3-enoic acid (PubChem CID 23268867) has the molecular formula C4H2F4O2 and a molecular weight of 158.05 g/mol. Its IUPAC name is 2,2,3,4-tetrafluorobut-3-enoic acid.

Molecular Properties

Compound Name2,2,3,4-tetrafluorobut-3-enoic acid
PubChem CID23268867
Molecular FormulaC4H2F4O2
Molecular Weight158.05 g/mol
Exact Mass158.00
IUPAC Name2,2,3,4-tetrafluorobut-3-enoic acid
SMILESO=C(O)C(F)(F)C(F)=CF
InChIInChI=1S/C4H2F4O2/c5-1-2(6)4(7,8)3(9)10/h1H,(H,9,10)
InChIKeyBAMJUHCNDBQFII-UHFFFAOYSA-N
XLogP1.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.05
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2,3,4-tetrafluorobut-3-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

Related Compounds

2,2-difluoropropanedioic acid
CID 10130002
2,2,3-trifluoro-3-oxopropanoic acid
CID 57488659
(Z)-3,3-dichloro-1,2,3-trifluoroprop-1-ene
CID 90459485
1,2,3,3,4,4,4-heptafluorobut-1-ene
CID 158100137
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3-tetrafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid
CID 87472249
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837
CID 85392225
CID 85392225
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
sulfanium 2,2,2-trifluoroacetic acid
CID 158048002
carbonic acid;(E)-1,2-difluoroprop-1-ene
CID 88574369

Frequently Asked Questions

What is the IUPAC name of 2,2,3,4-tetrafluorobut-3-enoic acid?
The IUPAC name of 2,2,3,4-tetrafluorobut-3-enoic acid (CID 23268867) is 2,2,3,4-tetrafluorobut-3-enoic acid.
What is the SMILES notation for 2,2,3,4-tetrafluorobut-3-enoic acid?
The canonical SMILES for 2,2,3,4-tetrafluorobut-3-enoic acid is O=C(O)C(F)(F)C(F)=CF.
What is the InChIKey of 2,2,3,4-tetrafluorobut-3-enoic acid?
The InChIKey is BAMJUHCNDBQFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F4O2/c5-1-2(6)4(7,8)3(9)10/h1H,(H,9,10).
What are the key properties of 2,2,3,4-tetrafluorobut-3-enoic acid?
2,2,3,4-tetrafluorobut-3-enoic acid has a molecular weight of 158.05 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4-tetrafluorobut-3-enoic acid is sourced from PubChem (CID 23268867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).