3,3,4,4,5,5-hexafluoro-1,2-bis(prop-2-ynoxy)cyclopentene

C11H6F6O2 — CID 122554566

IUPAC3,3,4,4,5,5-hexafluoro-1,2-bis(prop-2-ynoxy)cyclopentene
SMILESC#CCOC1=C(OCC#C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H6F6O2/c1-3-5-18-7-8(19-6-4-2)10(14,15)11(16,17)9(7,12)13/h1-2H,5-6H2
InChIKeyFKVWRWHMJOIQEN-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.42
Rot. Bonds4

About 3,3,4,4,5,5-hexafluoro-1,2-bis(prop-2-ynoxy)cyclopentene

3,3,4,4,5,5-hexafluoro-1,2-bis(prop-2-ynoxy)cyclopentene (PubChem CID 122554566) has the molecular formula C11H6F6O2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1,2-bis(prop-2-ynoxy)cyclopentene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1,2-bis(prop-2-ynoxy)cyclopentene
PubChem CID122554566
Molecular FormulaC11H6F6O2
Molecular Weight284.15 g/mol
Exact Mass284.03
IUPAC Name3,3,4,4,5,5-hexafluoro-1,2-bis(prop-2-ynoxy)cyclopentene
SMILESC#CCOC1=C(OCC#C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H6F6O2/c1-3-5-18-7-8(19-6-4-2)10(14,15)11(16,17)9(7,12)13/h1-2H,5-6H2
InChIKeyFKVWRWHMJOIQEN-UHFFFAOYSA-N
XLogP2.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexafluoro-1,2-bis(prop-2-ynoxy)cyclopentene?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1,2-bis(prop-2-ynoxy)cyclopentene (CID 122554566) is 3,3,4,4,5,5-hexafluoro-1,2-bis(prop-2-ynoxy)cyclopentene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1,2-bis(prop-2-ynoxy)cyclopentene?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1,2-bis(prop-2-ynoxy)cyclopentene is C#CCOC1=C(OCC#C)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4,5,5-hexafluoro-1,2-bis(prop-2-ynoxy)cyclopentene?
The InChIKey is FKVWRWHMJOIQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F6O2/c1-3-5-18-7-8(19-6-4-2)10(14,15)11(16,17)9(7,12)13/h1-2H,5-6H2.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1,2-bis(prop-2-ynoxy)cyclopentene?
3,3,4,4,5,5-hexafluoro-1,2-bis(prop-2-ynoxy)cyclopentene has a molecular weight of 284.15 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5-hexafluoro-1,2-bis(prop-2-ynoxy)cyclopentene is sourced from PubChem (CID 122554566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).