3,3,4,4,5,5-hexafluoro-1,2-bis(pent-4-enoxy)cyclopentene

C15H18F6O2 — CID 122554585

IUPAC3,3,4,4,5,5-hexafluoro-1,2-bis(pent-4-enoxy)cyclopentene
SMILESC=CCCCOC1=C(OCCCC=C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C15H18F6O2/c1-3-5-7-9-22-11-12(23-10-8-6-4-2)14(18,19)15(20,21)13(11,16)17/h3-4H,1-2,5-10H2
InChIKeyOSFJJZYPAHDKEF-UHFFFAOYSA-N
MW344.30 g/mol
LogP5.08
Rot. Bonds10

About 3,3,4,4,5,5-hexafluoro-1,2-bis(pent-4-enoxy)cyclopentene

3,3,4,4,5,5-hexafluoro-1,2-bis(pent-4-enoxy)cyclopentene (PubChem CID 122554585) has the molecular formula C15H18F6O2 and a molecular weight of 344.30 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1,2-bis(pent-4-enoxy)cyclopentene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1,2-bis(pent-4-enoxy)cyclopentene
PubChem CID122554585
Molecular FormulaC15H18F6O2
Molecular Weight344.30 g/mol
Exact Mass344.12
IUPAC Name3,3,4,4,5,5-hexafluoro-1,2-bis(pent-4-enoxy)cyclopentene
SMILESC=CCCCOC1=C(OCCCC=C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C15H18F6O2/c1-3-5-7-9-22-11-12(23-10-8-6-4-2)14(18,19)15(20,21)13(11,16)17/h3-4H,1-2,5-10H2
InChIKeyOSFJJZYPAHDKEF-UHFFFAOYSA-N
XLogP5.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.30
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 3,3,4,4,5,5-hexafluoro-1,2-bis(pent-4-enoxy)cyclopentene?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1,2-bis(pent-4-enoxy)cyclopentene (CID 122554585) is 3,3,4,4,5,5-hexafluoro-1,2-bis(pent-4-enoxy)cyclopentene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1,2-bis(pent-4-enoxy)cyclopentene?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1,2-bis(pent-4-enoxy)cyclopentene is C=CCCCOC1=C(OCCCC=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(pent-4-enoxy)cyclopentene?
The InChIKey is OSFJJZYPAHDKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F6O2/c1-3-5-7-9-22-11-12(23-10-8-6-4-2)14(18,19)15(20,21)13(11,16)17/h3-4H,1-2,5-10H2.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1,2-bis(pent-4-enoxy)cyclopentene?
3,3,4,4,5,5-hexafluoro-1,2-bis(pent-4-enoxy)cyclopentene has a molecular weight of 344.30 g/mol, XLogP of 5.08, 10 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(pent-4-enoxy)cyclopentene is sourced from PubChem (CID 122554585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).