3,3,4,4,5,5-hexafluoro-1-(2-fluoropropan-2-yl)cyclopentene

C8H7F7 — CID 175402785

IUPAC3,3,4,4,5,5-hexafluoro-1-(2-fluoropropan-2-yl)cyclopentene
SMILESCC(C)(F)C1=CC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H7F7/c1-5(2,9)4-3-6(10,11)8(14,15)7(4,12)13/h3H,1-2H3
InChIKeyMOGDBCDXPLNJJZ-UHFFFAOYSA-N
MW236.13 g/mol
LogP3.58
Rot. Bonds1

About 3,3,4,4,5,5-hexafluoro-1-(2-fluoropropan-2-yl)cyclopentene

3,3,4,4,5,5-hexafluoro-1-(2-fluoropropan-2-yl)cyclopentene (PubChem CID 175402785) has the molecular formula C8H7F7 and a molecular weight of 236.13 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1-(2-fluoropropan-2-yl)cyclopentene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1-(2-fluoropropan-2-yl)cyclopentene
PubChem CID175402785
Molecular FormulaC8H7F7
Molecular Weight236.13 g/mol
Exact Mass236.04
IUPAC Name3,3,4,4,5,5-hexafluoro-1-(2-fluoropropan-2-yl)cyclopentene
SMILESCC(C)(F)C1=CC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H7F7/c1-5(2,9)4-3-6(10,11)8(14,15)7(4,12)13/h3H,1-2H3
InChIKeyMOGDBCDXPLNJJZ-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.13
LogP ≤ 53.58
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 3,3,4,4,5,5-hexafluoro-1-(2-fluoropropan-2-yl)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-fluoropropan-2-yl)cyclopentene?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1-(2-fluoropropan-2-yl)cyclopentene (CID 175402785) is 3,3,4,4,5,5-hexafluoro-1-(2-fluoropropan-2-yl)cyclopentene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1-(2-fluoropropan-2-yl)cyclopentene?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1-(2-fluoropropan-2-yl)cyclopentene is CC(C)(F)C1=CC(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4,5,5-hexafluoro-1-(2-fluoropropan-2-yl)cyclopentene?
The InChIKey is MOGDBCDXPLNJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F7/c1-5(2,9)4-3-6(10,11)8(14,15)7(4,12)13/h3H,1-2H3.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1-(2-fluoropropan-2-yl)cyclopentene?
3,3,4,4,5,5-hexafluoro-1-(2-fluoropropan-2-yl)cyclopentene has a molecular weight of 236.13 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5-hexafluoro-1-(2-fluoropropan-2-yl)cyclopentene is sourced from PubChem (CID 175402785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).