3,3,4,4,5-pentafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene

C8H3F11O — CID 155670513

IUPAC3,3,4,4,5-pentafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene
SMILESFC(F)(F)C(OC1(F)C=CC(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C8H3F11O/c9-4(10)1-2-5(11,8(4,18)19)20-3(6(12,13)14)7(15,16)17/h1-3H
InChIKeyYFNOSFOZUQEANT-UHFFFAOYSA-N
MW324.09 g/mol
LogP4.00
Rot. Bonds2

About 3,3,4,4,5-pentafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene

3,3,4,4,5-pentafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene (PubChem CID 155670513) has the molecular formula C8H3F11O and a molecular weight of 324.09 g/mol. Its IUPAC name is 3,3,4,4,5-pentafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene.

Molecular Properties

Compound Name3,3,4,4,5-pentafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene
PubChem CID155670513
Molecular FormulaC8H3F11O
Molecular Weight324.09 g/mol
Exact Mass324.00
IUPAC Name3,3,4,4,5-pentafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene
SMILESFC(F)(F)C(OC1(F)C=CC(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C8H3F11O/c9-4(10)1-2-5(11,8(4,18)19)20-3(6(12,13)14)7(15,16)17/h1-3H
InChIKeyYFNOSFOZUQEANT-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.09
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5-pentafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene?
The IUPAC name of 3,3,4,4,5-pentafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene (CID 155670513) is 3,3,4,4,5-pentafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene.
What is the SMILES notation for 3,3,4,4,5-pentafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene?
The canonical SMILES for 3,3,4,4,5-pentafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene is FC(F)(F)C(OC1(F)C=CC(F)(F)C1(F)F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5-pentafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene?
The InChIKey is YFNOSFOZUQEANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F11O/c9-4(10)1-2-5(11,8(4,18)19)20-3(6(12,13)14)7(15,16)17/h1-3H.
What are the key properties of 3,3,4,4,5-pentafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene?
3,3,4,4,5-pentafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene has a molecular weight of 324.09 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5-pentafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene is sourced from PubChem (CID 155670513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).