3,3,4,4,5,5-hexafluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene

C8H2F12O — CID 155670467

IUPAC3,3,4,4,5,5-hexafluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene
SMILESFC(F)(F)C(OC1=CC(F)(F)C(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C8H2F12O/c9-4(10)1-2(5(11,12)8(4,19)20)21-3(6(13,14)15)7(16,17)18/h1,3H
InChIKeyPTHHRLLNPHBEHT-UHFFFAOYSA-N
MW342.08 g/mol
LogP4.30
Rot. Bonds2

About 3,3,4,4,5,5-hexafluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene

3,3,4,4,5,5-hexafluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene (PubChem CID 155670467) has the molecular formula C8H2F12O and a molecular weight of 342.08 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene
PubChem CID155670467
Molecular FormulaC8H2F12O
Molecular Weight342.08 g/mol
Exact Mass341.99
IUPAC Name3,3,4,4,5,5-hexafluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene
SMILESFC(F)(F)C(OC1=CC(F)(F)C(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C8H2F12O/c9-4(10)1-2(5(11,12)8(4,19)20)21-3(6(13,14)15)7(16,17)18/h1,3H
InChIKeyPTHHRLLNPHBEHT-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.08
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3,4,4,5,5-hexafluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene 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 3,3,4,4,5,5-hexafluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene (CID 155670467) is 3,3,4,4,5,5-hexafluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene is FC(F)(F)C(OC1=CC(F)(F)C(F)(F)C1(F)F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5-hexafluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene?
The InChIKey is PTHHRLLNPHBEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F12O/c9-4(10)1-2(5(11,12)8(4,19)20)21-3(6(13,14)15)7(16,17)18/h1,3H.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene?
3,3,4,4,5,5-hexafluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene has a molecular weight of 342.08 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5-hexafluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene is sourced from PubChem (CID 155670467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).