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

C8HF13O — CID 155670599

IUPAC1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene
SMILESFC1=C(OC(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8HF13O/c9-1-2(5(12,13)8(20,21)4(1,10)11)22-3(6(14,15)16)7(17,18)19/h3H
InChIKeyYFJBBWRBSGNKJA-UHFFFAOYSA-N
MW360.07 g/mol
LogP4.60
Rot. Bonds2

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

1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene (PubChem CID 155670599) has the molecular formula C8HF13O and a molecular weight of 360.07 g/mol. Its IUPAC name is 1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene.

Molecular Properties

Compound Name1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene
PubChem CID155670599
Molecular FormulaC8HF13O
Molecular Weight360.07 g/mol
Exact Mass359.98
IUPAC Name1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene
SMILESFC1=C(OC(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8HF13O/c9-1-2(5(12,13)8(20,21)4(1,10)11)22-3(6(14,15)16)7(17,18)19/h3H
InChIKeyYFJBBWRBSGNKJA-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.07
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene?
The IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene (CID 155670599) is 1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene.
What is the SMILES notation for 1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene?
The canonical SMILES for 1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene is FC1=C(OC(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene?
The InChIKey is YFJBBWRBSGNKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HF13O/c9-1-2(5(12,13)8(20,21)4(1,10)11)22-3(6(14,15)16)7(17,18)19/h3H.
What are the key properties of 1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene?
1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene has a molecular weight of 360.07 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene is sourced from PubChem (CID 155670599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).