3,3,4,4,5,5-hexafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclopentene

C9H4F12O2 — CID 155670532

IUPAC3,3,4,4,5,5-hexafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclopentene
SMILESFC(F)(F)COC1=C(OCC(F)(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H4F12O2/c10-5(11,12)1-22-3-4(23-2-6(13,14)15)8(18,19)9(20,21)7(3,16)17/h1-2H2
InChIKeyIMTOPLABUJOISA-UHFFFAOYSA-N
MW372.11 g/mol
LogP4.28
Rot. Bonds4

About 3,3,4,4,5,5-hexafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclopentene

3,3,4,4,5,5-hexafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclopentene (PubChem CID 155670532) has the molecular formula C9H4F12O2 and a molecular weight of 372.11 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclopentene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclopentene
PubChem CID155670532
Molecular FormulaC9H4F12O2
Molecular Weight372.11 g/mol
Exact Mass372.00
IUPAC Name3,3,4,4,5,5-hexafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclopentene
SMILESFC(F)(F)COC1=C(OCC(F)(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H4F12O2/c10-5(11,12)1-22-3-4(23-2-6(13,14)15)8(18,19)9(20,21)7(3,16)17/h1-2H2
InChIKeyIMTOPLABUJOISA-UHFFFAOYSA-N
XLogP4.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.11
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,3,4,4,5,5-hexafluoro-1,2-bis(2,2,2-trifluoroethoxy)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-1,2-bis(2,2,2-trifluoroethoxy)cyclopentene?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclopentene (CID 155670532) is 3,3,4,4,5,5-hexafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclopentene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclopentene?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclopentene is FC(F)(F)COC1=C(OCC(F)(F)F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4,5,5-hexafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclopentene?
The InChIKey is IMTOPLABUJOISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F12O2/c10-5(11,12)1-22-3-4(23-2-6(13,14)15)8(18,19)9(20,21)7(3,16)17/h1-2H2.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclopentene?
3,3,4,4,5,5-hexafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclopentene has a molecular weight of 372.11 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5-hexafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclopentene is sourced from PubChem (CID 155670532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).