2,2,3,3-tetrafluorocyclobutane-1-carboxylic acid

C5H4F4O2 — CID 22572613

IUPAC2,2,3,3-tetrafluorocyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(F)(F)C1(F)F
InChIInChI=1S/C5H4F4O2/c6-4(7)1-2(3(10)11)5(4,8)9/h2H,1H2,(H,10,11)
InChIKeyYPIGSOZDUWOJQG-UHFFFAOYSA-N
MW172.08 g/mol
LogP1.36
Rot. Bonds1

About 2,2,3,3-tetrafluorocyclobutane-1-carboxylic acid

2,2,3,3-tetrafluorocyclobutane-1-carboxylic acid (PubChem CID 22572613) has the molecular formula C5H4F4O2 and a molecular weight of 172.08 g/mol. Its IUPAC name is 2,2,3,3-tetrafluorocyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2,2,3,3-tetrafluorocyclobutane-1-carboxylic acid
PubChem CID22572613
Molecular FormulaC5H4F4O2
Molecular Weight172.08 g/mol
Exact Mass172.01
IUPAC Name2,2,3,3-tetrafluorocyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(F)(F)C1(F)F
InChIInChI=1S/C5H4F4O2/c6-4(7)1-2(3(10)11)5(4,8)9/h2H,1H2,(H,10,11)
InChIKeyYPIGSOZDUWOJQG-UHFFFAOYSA-N
XLogP1.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.08
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,5,5,5-Tetrafluoro-4-(trifluoromethyl)pentanoic acid
CID 2776799
1-(Trifluoromethyl)cyclobutanecarboxylic acid
CID 2782838
2(2H-Perfluoro-2-propyl)acetic acid
CID 2782190
3,3-Difluorocyclobutane-1-carboxylic acid
CID 13777789
1-Fluorocyclobutanecarboxylic acid
CID 21187532
rac-(1R,2R)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid
CID 13379936
4,4,5,5,5-Pentafluoropentanoic acid
CID 23423163
(1S,2R)-2-(Difluoromethyl)cyclopropanecarboxylic acid
CID 124539982
2-(2,2-Difluorocyclopropyl)acetic acid
CID 14458503
3-Fluorocyclobutane-1-carboxylic acid
CID 18690690
2-Chloro-2,3,3-trifluorocyclobutane-1-carboxylic acid
CID 21407681
(1S,2S)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid
CID 50990456

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluorocyclobutane-1-carboxylic acid?
The IUPAC name of 2,2,3,3-tetrafluorocyclobutane-1-carboxylic acid (CID 22572613) is 2,2,3,3-tetrafluorocyclobutane-1-carboxylic acid.
What is the SMILES notation for 2,2,3,3-tetrafluorocyclobutane-1-carboxylic acid?
The canonical SMILES for 2,2,3,3-tetrafluorocyclobutane-1-carboxylic acid is O=C(O)C1CC(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3-tetrafluorocyclobutane-1-carboxylic acid?
The InChIKey is YPIGSOZDUWOJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F4O2/c6-4(7)1-2(3(10)11)5(4,8)9/h2H,1H2,(H,10,11).
What are the key properties of 2,2,3,3-tetrafluorocyclobutane-1-carboxylic acid?
2,2,3,3-tetrafluorocyclobutane-1-carboxylic acid has a molecular weight of 172.08 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluorocyclobutane-1-carboxylic acid is sourced from PubChem (CID 22572613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).