3,3,4,4-tetrafluorocyclobutene-1,2-dicarboxylic acid

C6H2F4O4 — CID 154393408

IUPAC3,3,4,4-tetrafluorocyclobutene-1,2-dicarboxylic acid
SMILESO=C(O)C1=C(C(=O)O)C(F)(F)C1(F)F
InChIInChI=1S/C6H2F4O4/c7-5(8)1(3(11)12)2(4(13)14)6(5,9)10/h(H,11,12)(H,13,14)
InChIKeyFQJHBNAZJDOUTG-UHFFFAOYSA-N
MW214.07 g/mol
LogP0.74
Rot. Bonds2

About 3,3,4,4-tetrafluorocyclobutene-1,2-dicarboxylic acid

3,3,4,4-tetrafluorocyclobutene-1,2-dicarboxylic acid (PubChem CID 154393408) has the molecular formula C6H2F4O4 and a molecular weight of 214.07 g/mol. Its IUPAC name is 3,3,4,4-tetrafluorocyclobutene-1,2-dicarboxylic acid.

Molecular Properties

Compound Name3,3,4,4-tetrafluorocyclobutene-1,2-dicarboxylic acid
PubChem CID154393408
Molecular FormulaC6H2F4O4
Molecular Weight214.07 g/mol
Exact Mass213.99
IUPAC Name3,3,4,4-tetrafluorocyclobutene-1,2-dicarboxylic acid
SMILESO=C(O)C1=C(C(=O)O)C(F)(F)C1(F)F
InChIInChI=1S/C6H2F4O4/c7-5(8)1(3(11)12)2(4(13)14)6(5,9)10/h(H,11,12)(H,13,14)
InChIKeyFQJHBNAZJDOUTG-UHFFFAOYSA-N
XLogP0.74
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.07
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,3,4,4-tetrafluorocyclobutene-1,2-dicarboxylic 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

ethane;2,3,5,6-tetrafluoroterephthalic acid
CID 142538632
(1R,4R)-1,3,4,5,6-pentamethylbicyclo[2.2.0]hexa-2,5-diene-2-carboxylic acid
CID 131064946
pentadecahectasodium;carbonic acid
CID 173256728
copper;sodium;hydrogen carbonate
CID 158630048
hexatriacontasodium;carbonic acid;hydrogen carbonate
CID 173333851
sodium;hydrogen carbonate;rhodium(3+)
CID 158976789
dodecasodium;carbonic acid;hexacarbonate
CID 173011639
pentacontasodium;carbonic acid;pentacosacarbonate
CID 173275921
2,2,3,3-tetrafluorocyclopropan-1-one
CID 175052799
sodium;arsane;hydrogen carbonate
CID 175072054
icosasodium;carbonic acid;decacarbonate
CID 173436065
3,4,4-trifluorocyclobut-2-ene-1,2-dicarboxylic acid
CID 154237911

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetrafluorocyclobutene-1,2-dicarboxylic acid?
The IUPAC name of 3,3,4,4-tetrafluorocyclobutene-1,2-dicarboxylic acid (CID 154393408) is 3,3,4,4-tetrafluorocyclobutene-1,2-dicarboxylic acid.
What is the SMILES notation for 3,3,4,4-tetrafluorocyclobutene-1,2-dicarboxylic acid?
The canonical SMILES for 3,3,4,4-tetrafluorocyclobutene-1,2-dicarboxylic acid is O=C(O)C1=C(C(=O)O)C(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4-tetrafluorocyclobutene-1,2-dicarboxylic acid?
The InChIKey is FQJHBNAZJDOUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F4O4/c7-5(8)1(3(11)12)2(4(13)14)6(5,9)10/h(H,11,12)(H,13,14).
What are the key properties of 3,3,4,4-tetrafluorocyclobutene-1,2-dicarboxylic acid?
3,3,4,4-tetrafluorocyclobutene-1,2-dicarboxylic acid has a molecular weight of 214.07 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetrafluorocyclobutene-1,2-dicarboxylic acid is sourced from PubChem (CID 154393408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).