7,7-bis(1,1,2,2,2-pentafluoroethyl)cyclohepta-1,3,5-triene

C11H6F10 — CID 610593

IUPAC7,7-bis(1,1,2,2,2-pentafluoroethyl)cyclohepta-1,3,5-triene
SMILESFC(F)(F)C(F)(F)C1(C(F)(F)C(F)(F)F)C=CC=CC=C1
InChIInChI=1S/C11H6F10/c12-8(13,10(16,17)18)7(5-3-1-2-4-6-7)9(14,15)11(19,20)21/h1-6H
InChIKeyOCYGMFZKMOPBHY-UHFFFAOYSA-N
MW328.15 g/mol
LogP5.05
Rot. Bonds2

About 7,7-bis(1,1,2,2,2-pentafluoroethyl)cyclohepta-1,3,5-triene

7,7-bis(1,1,2,2,2-pentafluoroethyl)cyclohepta-1,3,5-triene (PubChem CID 610593) has the molecular formula C11H6F10 and a molecular weight of 328.15 g/mol. Its IUPAC name is 7,7-bis(1,1,2,2,2-pentafluoroethyl)cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name7,7-bis(1,1,2,2,2-pentafluoroethyl)cyclohepta-1,3,5-triene
PubChem CID610593
Molecular FormulaC11H6F10
Molecular Weight328.15 g/mol
Exact Mass328.03
IUPAC Name7,7-bis(1,1,2,2,2-pentafluoroethyl)cyclohepta-1,3,5-triene
SMILESFC(F)(F)C(F)(F)C1(C(F)(F)C(F)(F)F)C=CC=CC=C1
InChIInChI=1S/C11H6F10/c12-8(13,10(16,17)18)7(5-3-1-2-4-6-7)9(14,15)11(19,20)21/h1-6H
InChIKeyOCYGMFZKMOPBHY-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.15
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 7,7-bis(1,1,2,2,2-pentafluoroethyl)cyclohepta-1,3,5-triene 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 7,7-bis(1,1,2,2,2-pentafluoroethyl)cyclohepta-1,3,5-triene?
The IUPAC name of 7,7-bis(1,1,2,2,2-pentafluoroethyl)cyclohepta-1,3,5-triene (CID 610593) is 7,7-bis(1,1,2,2,2-pentafluoroethyl)cyclohepta-1,3,5-triene.
What is the SMILES notation for 7,7-bis(1,1,2,2,2-pentafluoroethyl)cyclohepta-1,3,5-triene?
The canonical SMILES for 7,7-bis(1,1,2,2,2-pentafluoroethyl)cyclohepta-1,3,5-triene is FC(F)(F)C(F)(F)C1(C(F)(F)C(F)(F)F)C=CC=CC=C1.
What is the InChIKey of 7,7-bis(1,1,2,2,2-pentafluoroethyl)cyclohepta-1,3,5-triene?
The InChIKey is OCYGMFZKMOPBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F10/c12-8(13,10(16,17)18)7(5-3-1-2-4-6-7)9(14,15)11(19,20)21/h1-6H.
What are the key properties of 7,7-bis(1,1,2,2,2-pentafluoroethyl)cyclohepta-1,3,5-triene?
7,7-bis(1,1,2,2,2-pentafluoroethyl)cyclohepta-1,3,5-triene has a molecular weight of 328.15 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-bis(1,1,2,2,2-pentafluoroethyl)cyclohepta-1,3,5-triene is sourced from PubChem (CID 610593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).