1-chloro-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene

C6ClF9 — CID 2736599

IUPAC1-chloro-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene
SMILESFC(F)(F)C1=C(Cl)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6ClF9/c7-2-1(5(12,13)14)3(8,9)6(15,16)4(2,10)11
InChIKeySPJMTEPSABEJSM-UHFFFAOYSA-N
MW278.50 g/mol
LogP3.96
Rot. Bonds

About 1-chloro-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene

1-chloro-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene (PubChem CID 2736599) has the molecular formula C6ClF9 and a molecular weight of 278.50 g/mol. Its IUPAC name is 1-chloro-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene.

Molecular Properties

Compound Name1-chloro-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene
PubChem CID2736599
Molecular FormulaC6ClF9
Molecular Weight278.50 g/mol
Exact Mass277.95
IUPAC Name1-chloro-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene
SMILESFC(F)(F)C1=C(Cl)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6ClF9/c7-2-1(5(12,13)14)3(8,9)6(15,16)4(2,10)11
InChIKeySPJMTEPSABEJSM-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.50
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-chloro-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)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 1-chloro-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene?
The IUPAC name of 1-chloro-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene (CID 2736599) is 1-chloro-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene.
What is the SMILES notation for 1-chloro-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene?
The canonical SMILES for 1-chloro-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene is FC(F)(F)C1=C(Cl)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-chloro-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene?
The InChIKey is SPJMTEPSABEJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6ClF9/c7-2-1(5(12,13)14)3(8,9)6(15,16)4(2,10)11.
What are the key properties of 1-chloro-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene?
1-chloro-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene has a molecular weight of 278.50 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene is sourced from PubChem (CID 2736599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).