1,2,3,5-tetramethyl-5-(1,1,2,2,2-pentafluoroethyl)cyclopenta-1,3-diene

C11H13F5 — CID 54318301

IUPAC1,2,3,5-tetramethyl-5-(1,1,2,2,2-pentafluoroethyl)cyclopenta-1,3-diene
SMILESCC1=CC(C)(C(F)(F)C(F)(F)F)C(C)=C1C
InChIInChI=1S/C11H13F5/c1-6-5-9(4,8(3)7(6)2)10(12,13)11(14,15)16/h5H,1-4H3
InChIKeyMKRRUKGTSMYZSW-UHFFFAOYSA-N
MW240.21 g/mol
LogP4.49
Rot. Bonds1

About 1,2,3,5-tetramethyl-5-(1,1,2,2,2-pentafluoroethyl)cyclopenta-1,3-diene

1,2,3,5-tetramethyl-5-(1,1,2,2,2-pentafluoroethyl)cyclopenta-1,3-diene (PubChem CID 54318301) has the molecular formula C11H13F5 and a molecular weight of 240.21 g/mol. Its IUPAC name is 1,2,3,5-tetramethyl-5-(1,1,2,2,2-pentafluoroethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,3,5-tetramethyl-5-(1,1,2,2,2-pentafluoroethyl)cyclopenta-1,3-diene
PubChem CID54318301
Molecular FormulaC11H13F5
Molecular Weight240.21 g/mol
Exact Mass240.09
IUPAC Name1,2,3,5-tetramethyl-5-(1,1,2,2,2-pentafluoroethyl)cyclopenta-1,3-diene
SMILESCC1=CC(C)(C(F)(F)C(F)(F)F)C(C)=C1C
InChIInChI=1S/C11H13F5/c1-6-5-9(4,8(3)7(6)2)10(12,13)11(14,15)16/h5H,1-4H3
InChIKeyMKRRUKGTSMYZSW-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 54.49
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 1,2,3,5-tetramethyl-5-(1,1,2,2,2-pentafluoroethyl)cyclopenta-1,3-diene?
The IUPAC name of 1,2,3,5-tetramethyl-5-(1,1,2,2,2-pentafluoroethyl)cyclopenta-1,3-diene (CID 54318301) is 1,2,3,5-tetramethyl-5-(1,1,2,2,2-pentafluoroethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1,2,3,5-tetramethyl-5-(1,1,2,2,2-pentafluoroethyl)cyclopenta-1,3-diene?
The canonical SMILES for 1,2,3,5-tetramethyl-5-(1,1,2,2,2-pentafluoroethyl)cyclopenta-1,3-diene is CC1=CC(C)(C(F)(F)C(F)(F)F)C(C)=C1C.
What is the InChIKey of 1,2,3,5-tetramethyl-5-(1,1,2,2,2-pentafluoroethyl)cyclopenta-1,3-diene?
The InChIKey is MKRRUKGTSMYZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F5/c1-6-5-9(4,8(3)7(6)2)10(12,13)11(14,15)16/h5H,1-4H3.
What are the key properties of 1,2,3,5-tetramethyl-5-(1,1,2,2,2-pentafluoroethyl)cyclopenta-1,3-diene?
1,2,3,5-tetramethyl-5-(1,1,2,2,2-pentafluoroethyl)cyclopenta-1,3-diene has a molecular weight of 240.21 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetramethyl-5-(1,1,2,2,2-pentafluoroethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 54318301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).