3-ethynyl-1,1,2,2-tetrafluorocyclobutane

C6H4F4 — CID 154103516

IUPAC3-ethynyl-1,1,2,2-tetrafluorocyclobutane
SMILESC#CC1CC(F)(F)C1(F)F
InChIInChI=1S/C6H4F4/c1-2-4-3-5(7,8)6(4,9)10/h1,4H,3H2
InChIKeyZKHPVKDUHJXWHK-UHFFFAOYSA-N
MW152.09 g/mol
LogP1.91
Rot. Bonds

About 3-ethynyl-1,1,2,2-tetrafluorocyclobutane

3-ethynyl-1,1,2,2-tetrafluorocyclobutane (PubChem CID 154103516) has the molecular formula C6H4F4 and a molecular weight of 152.09 g/mol. Its IUPAC name is 3-ethynyl-1,1,2,2-tetrafluorocyclobutane.

Molecular Properties

Compound Name3-ethynyl-1,1,2,2-tetrafluorocyclobutane
PubChem CID154103516
Molecular FormulaC6H4F4
Molecular Weight152.09 g/mol
Exact Mass152.02
IUPAC Name3-ethynyl-1,1,2,2-tetrafluorocyclobutane
SMILESC#CC1CC(F)(F)C1(F)F
InChIInChI=1S/C6H4F4/c1-2-4-3-5(7,8)6(4,9)10/h1,4H,3H2
InChIKeyZKHPVKDUHJXWHK-UHFFFAOYSA-N
XLogP1.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.09
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-ethynyl-1,1,2,2-tetrafluorocyclobutane 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 3-ethynyl-1,1,2,2-tetrafluorocyclobutane?
The IUPAC name of 3-ethynyl-1,1,2,2-tetrafluorocyclobutane (CID 154103516) is 3-ethynyl-1,1,2,2-tetrafluorocyclobutane.
What is the SMILES notation for 3-ethynyl-1,1,2,2-tetrafluorocyclobutane?
The canonical SMILES for 3-ethynyl-1,1,2,2-tetrafluorocyclobutane is C#CC1CC(F)(F)C1(F)F.
What is the InChIKey of 3-ethynyl-1,1,2,2-tetrafluorocyclobutane?
The InChIKey is ZKHPVKDUHJXWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F4/c1-2-4-3-5(7,8)6(4,9)10/h1,4H,3H2.
What are the key properties of 3-ethynyl-1,1,2,2-tetrafluorocyclobutane?
3-ethynyl-1,1,2,2-tetrafluorocyclobutane has a molecular weight of 152.09 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-1,1,2,2-tetrafluorocyclobutane is sourced from PubChem (CID 154103516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).