5-(1,1,2,2,2-pentafluoroethyl)-5-[(E)-2-(2,2,2-trifluoroethoxy)ethenyl]cyclopenta-1,3-diene

C11H8F8O — CID 10402988

IUPAC5-(1,1,2,2,2-pentafluoroethyl)-5-[(E)-2-(2,2,2-trifluoroethoxy)ethenyl]cyclopenta-1,3-diene
SMILESFC(F)(F)CO/C=C/C1(C(F)(F)C(F)(F)F)C=CC=C1
InChIInChI=1S/C11H8F8O/c12-9(13,14)7-20-6-5-8(3-1-2-4-8)10(15,16)11(17,18)19/h1-6H,7H2/b6-5+
InChIKeyPYZVFNAZUMZACP-AATRIKPKSA-N
MW308.17 g/mol
LogP4.39
Rot. Bonds4

About 5-(1,1,2,2,2-pentafluoroethyl)-5-[(E)-2-(2,2,2-trifluoroethoxy)ethenyl]cyclopenta-1,3-diene

5-(1,1,2,2,2-pentafluoroethyl)-5-[(E)-2-(2,2,2-trifluoroethoxy)ethenyl]cyclopenta-1,3-diene (PubChem CID 10402988) has the molecular formula C11H8F8O and a molecular weight of 308.17 g/mol. Its IUPAC name is 5-(1,1,2,2,2-pentafluoroethyl)-5-[(E)-2-(2,2,2-trifluoroethoxy)ethenyl]cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(1,1,2,2,2-pentafluoroethyl)-5-[(E)-2-(2,2,2-trifluoroethoxy)ethenyl]cyclopenta-1,3-diene
PubChem CID10402988
Molecular FormulaC11H8F8O
Molecular Weight308.17 g/mol
Exact Mass308.04
IUPAC Name5-(1,1,2,2,2-pentafluoroethyl)-5-[(E)-2-(2,2,2-trifluoroethoxy)ethenyl]cyclopenta-1,3-diene
SMILESFC(F)(F)CO/C=C/C1(C(F)(F)C(F)(F)F)C=CC=C1
InChIInChI=1S/C11H8F8O/c12-9(13,14)7-20-6-5-8(3-1-2-4-8)10(15,16)11(17,18)19/h1-6H,7H2/b6-5+
InChIKeyPYZVFNAZUMZACP-AATRIKPKSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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)-5-[(E)-2-(2,2,2-trifluoroethoxy)ethenyl]cyclopenta-1,3-diene?
The IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-5-[(E)-2-(2,2,2-trifluoroethoxy)ethenyl]cyclopenta-1,3-diene (CID 10402988) is 5-(1,1,2,2,2-pentafluoroethyl)-5-[(E)-2-(2,2,2-trifluoroethoxy)ethenyl]cyclopenta-1,3-diene.
What is the SMILES notation for 5-(1,1,2,2,2-pentafluoroethyl)-5-[(E)-2-(2,2,2-trifluoroethoxy)ethenyl]cyclopenta-1,3-diene?
The canonical SMILES for 5-(1,1,2,2,2-pentafluoroethyl)-5-[(E)-2-(2,2,2-trifluoroethoxy)ethenyl]cyclopenta-1,3-diene is FC(F)(F)CO/C=C/C1(C(F)(F)C(F)(F)F)C=CC=C1.
What is the InChIKey of 5-(1,1,2,2,2-pentafluoroethyl)-5-[(E)-2-(2,2,2-trifluoroethoxy)ethenyl]cyclopenta-1,3-diene?
The InChIKey is PYZVFNAZUMZACP-AATRIKPKSA-N. The full InChI is InChI=1S/C11H8F8O/c12-9(13,14)7-20-6-5-8(3-1-2-4-8)10(15,16)11(17,18)19/h1-6H,7H2/b6-5+.
What are the key properties of 5-(1,1,2,2,2-pentafluoroethyl)-5-[(E)-2-(2,2,2-trifluoroethoxy)ethenyl]cyclopenta-1,3-diene?
5-(1,1,2,2,2-pentafluoroethyl)-5-[(E)-2-(2,2,2-trifluoroethoxy)ethenyl]cyclopenta-1,3-diene has a molecular weight of 308.17 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,2-pentafluoroethyl)-5-[(E)-2-(2,2,2-trifluoroethoxy)ethenyl]cyclopenta-1,3-diene is sourced from PubChem (CID 10402988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).