1,1,2,2,3,3,4-heptafluoro-4-[3,3,4,4-tetrafluoro-2-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobuten-1-yl]cyclobutane

C12F18 — CID 12525332

IUPAC1,1,2,2,3,3,4-heptafluoro-4-[3,3,4,4-tetrafluoro-2-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobuten-1-yl]cyclobutane
SMILESFC1(F)C(C2(F)C(F)(F)C(F)(F)C2(F)F)=C(C2(F)C(F)(F)C(F)(F)C2(F)F)C1(F)F
InChIInChI=1S/C12F18/c13-3(7(19,20)11(27,28)8(3,21)22)1-2(6(17,18)5(1,15)16)4(14)9(23,24)12(29,30)10(4,25)26
InChIKeyYIXIMAOOUNOPMK-UHFFFAOYSA-N
MW486.10 g/mol
LogP5.82
Rot. Bonds2

About 1,1,2,2,3,3,4-heptafluoro-4-[3,3,4,4-tetrafluoro-2-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobuten-1-yl]cyclobutane

1,1,2,2,3,3,4-heptafluoro-4-[3,3,4,4-tetrafluoro-2-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobuten-1-yl]cyclobutane (PubChem CID 12525332) has the molecular formula C12F18 and a molecular weight of 486.10 g/mol. Its IUPAC name is 1,1,2,2,3,3,4-heptafluoro-4-[3,3,4,4-tetrafluoro-2-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobuten-1-yl]cyclobutane.

Molecular Properties

Compound Name1,1,2,2,3,3,4-heptafluoro-4-[3,3,4,4-tetrafluoro-2-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobuten-1-yl]cyclobutane
PubChem CID12525332
Molecular FormulaC12F18
Molecular Weight486.10 g/mol
Exact Mass485.97
IUPAC Name1,1,2,2,3,3,4-heptafluoro-4-[3,3,4,4-tetrafluoro-2-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobuten-1-yl]cyclobutane
SMILESFC1(F)C(C2(F)C(F)(F)C(F)(F)C2(F)F)=C(C2(F)C(F)(F)C(F)(F)C2(F)F)C1(F)F
InChIInChI=1S/C12F18/c13-3(7(19,20)11(27,28)8(3,21)22)1-2(6(17,18)5(1,15)16)4(14)9(23,24)12(29,30)10(4,25)26
InChIKeyYIXIMAOOUNOPMK-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.10
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3,4-heptafluoro-4-[3,3,4,4-tetrafluoro-2-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobuten-1-yl]cyclobutane 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 1,1,2,2,3,3,4-heptafluoro-4-[3,3,4,4-tetrafluoro-2-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobuten-1-yl]cyclobutane?
The IUPAC name of 1,1,2,2,3,3,4-heptafluoro-4-[3,3,4,4-tetrafluoro-2-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobuten-1-yl]cyclobutane (CID 12525332) is 1,1,2,2,3,3,4-heptafluoro-4-[3,3,4,4-tetrafluoro-2-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobuten-1-yl]cyclobutane.
What is the SMILES notation for 1,1,2,2,3,3,4-heptafluoro-4-[3,3,4,4-tetrafluoro-2-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobuten-1-yl]cyclobutane?
The canonical SMILES for 1,1,2,2,3,3,4-heptafluoro-4-[3,3,4,4-tetrafluoro-2-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobuten-1-yl]cyclobutane is FC1(F)C(C2(F)C(F)(F)C(F)(F)C2(F)F)=C(C2(F)C(F)(F)C(F)(F)C2(F)F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3,4-heptafluoro-4-[3,3,4,4-tetrafluoro-2-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobuten-1-yl]cyclobutane?
The InChIKey is YIXIMAOOUNOPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F18/c13-3(7(19,20)11(27,28)8(3,21)22)1-2(6(17,18)5(1,15)16)4(14)9(23,24)12(29,30)10(4,25)26.
What are the key properties of 1,1,2,2,3,3,4-heptafluoro-4-[3,3,4,4-tetrafluoro-2-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobuten-1-yl]cyclobutane?
1,1,2,2,3,3,4-heptafluoro-4-[3,3,4,4-tetrafluoro-2-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobuten-1-yl]cyclobutane has a molecular weight of 486.10 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4-heptafluoro-4-[3,3,4,4-tetrafluoro-2-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobuten-1-yl]cyclobutane is sourced from PubChem (CID 12525332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).