5-(1,1,2,2,2-pentafluoroethyl)-1,2,3,4,5-pentakis(trifluoromethyl)cyclopenta-1,3-diene

C12F20 — CID 162536243

IUPAC5-(1,1,2,2,2-pentafluoroethyl)-1,2,3,4,5-pentakis(trifluoromethyl)cyclopenta-1,3-diene
SMILESFC(F)(F)C1=C(C(F)(F)F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C(C(F)(F)F)=C1C(F)(F)F
InChIInChI=1S/C12F20/c13-6(14,15)1-2(7(16,17)18)4(9(22,23)24)5(11(27,28)29,3(1)8(19,20)21)10(25,26)12(30,31)32
InChIKeyATCWQOYOBSZPDR-UHFFFAOYSA-N
MW524.09 g/mol
LogP7.59
Rot. Bonds1

About 5-(1,1,2,2,2-pentafluoroethyl)-1,2,3,4,5-pentakis(trifluoromethyl)cyclopenta-1,3-diene

5-(1,1,2,2,2-pentafluoroethyl)-1,2,3,4,5-pentakis(trifluoromethyl)cyclopenta-1,3-diene (PubChem CID 162536243) has the molecular formula C12F20 and a molecular weight of 524.09 g/mol. Its IUPAC name is 5-(1,1,2,2,2-pentafluoroethyl)-1,2,3,4,5-pentakis(trifluoromethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(1,1,2,2,2-pentafluoroethyl)-1,2,3,4,5-pentakis(trifluoromethyl)cyclopenta-1,3-diene
PubChem CID162536243
Molecular FormulaC12F20
Molecular Weight524.09 g/mol
Exact Mass523.97
IUPAC Name5-(1,1,2,2,2-pentafluoroethyl)-1,2,3,4,5-pentakis(trifluoromethyl)cyclopenta-1,3-diene
SMILESFC(F)(F)C1=C(C(F)(F)F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C(C(F)(F)F)=C1C(F)(F)F
InChIInChI=1S/C12F20/c13-6(14,15)1-2(7(16,17)18)4(9(22,23)24)5(11(27,28)29,3(1)8(19,20)21)10(25,26)12(30,31)32
InChIKeyATCWQOYOBSZPDR-UHFFFAOYSA-N
XLogP7.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.09
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-1,2,3,4,5-pentakis(trifluoromethyl)cyclopenta-1,3-diene?
The IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-1,2,3,4,5-pentakis(trifluoromethyl)cyclopenta-1,3-diene (CID 162536243) is 5-(1,1,2,2,2-pentafluoroethyl)-1,2,3,4,5-pentakis(trifluoromethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 5-(1,1,2,2,2-pentafluoroethyl)-1,2,3,4,5-pentakis(trifluoromethyl)cyclopenta-1,3-diene?
The canonical SMILES for 5-(1,1,2,2,2-pentafluoroethyl)-1,2,3,4,5-pentakis(trifluoromethyl)cyclopenta-1,3-diene is FC(F)(F)C1=C(C(F)(F)F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C(C(F)(F)F)=C1C(F)(F)F.
What is the InChIKey of 5-(1,1,2,2,2-pentafluoroethyl)-1,2,3,4,5-pentakis(trifluoromethyl)cyclopenta-1,3-diene?
The InChIKey is ATCWQOYOBSZPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F20/c13-6(14,15)1-2(7(16,17)18)4(9(22,23)24)5(11(27,28)29,3(1)8(19,20)21)10(25,26)12(30,31)32.
What are the key properties of 5-(1,1,2,2,2-pentafluoroethyl)-1,2,3,4,5-pentakis(trifluoromethyl)cyclopenta-1,3-diene?
5-(1,1,2,2,2-pentafluoroethyl)-1,2,3,4,5-pentakis(trifluoromethyl)cyclopenta-1,3-diene has a molecular weight of 524.09 g/mol, XLogP of 7.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,2-pentafluoroethyl)-1,2,3,4,5-pentakis(trifluoromethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 162536243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).