1,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene

C7F12 — CID 155681381

IUPAC1,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene
SMILESFC1=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C7F12/c8-2-1(4(10,11)5(2,12)13)3(9,6(14,15)16)7(17,18)19
InChIKeyUTGVLFPFJVDRKP-UHFFFAOYSA-N
MW312.05 g/mol
LogP4.33
Rot. Bonds1

About 1,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene

1,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene (PubChem CID 155681381) has the molecular formula C7F12 and a molecular weight of 312.05 g/mol. Its IUPAC name is 1,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene.

Molecular Properties

Compound Name1,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene
PubChem CID155681381
Molecular FormulaC7F12
Molecular Weight312.05 g/mol
Exact Mass311.98
IUPAC Name1,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene
SMILESFC1=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C7F12/c8-2-1(4(10,11)5(2,12)13)3(9,6(14,15)16)7(17,18)19
InChIKeyUTGVLFPFJVDRKP-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.05
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene 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 1,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene?
The IUPAC name of 1,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene (CID 155681381) is 1,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene.
What is the SMILES notation for 1,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene?
The canonical SMILES for 1,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene is FC1=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 1,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene?
The InChIKey is UTGVLFPFJVDRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F12/c8-2-1(4(10,11)5(2,12)13)3(9,6(14,15)16)7(17,18)19.
What are the key properties of 1,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene?
1,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene has a molecular weight of 312.05 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene is sourced from PubChem (CID 155681381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).