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

C8H2F12O — CID 175337754

IUPAC1,3,3,4,4,5-hexafluoro-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)C1F
InChIInChI=1S/C8H2F12O/c9-1-2(10)5(11,12)6(13,14)3(1)21-4(7(15,16)17)8(18,19)20/h2,4H
InChIKeyZFQPNXQLMALSGC-UHFFFAOYSA-N
MW342.08 g/mol
LogP4.30
Rot. Bonds2

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

1,3,3,4,4,5-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene (PubChem CID 175337754) has the molecular formula C8H2F12O and a molecular weight of 342.08 g/mol. Its IUPAC name is 1,3,3,4,4,5-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene.

Molecular Properties

Compound Name1,3,3,4,4,5-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene
PubChem CID175337754
Molecular FormulaC8H2F12O
Molecular Weight342.08 g/mol
Exact Mass341.99
IUPAC Name1,3,3,4,4,5-hexafluoro-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)C1F
InChIInChI=1S/C8H2F12O/c9-1-2(10)5(11,12)6(13,14)3(1)21-4(7(15,16)17)8(18,19)20/h2,4H
InChIKeyZFQPNXQLMALSGC-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.08
LogP ≤ 54.30
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-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene?
The IUPAC name of 1,3,3,4,4,5-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene (CID 175337754) is 1,3,3,4,4,5-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene.
What is the SMILES notation for 1,3,3,4,4,5-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene?
The canonical SMILES for 1,3,3,4,4,5-hexafluoro-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)C1F.
What is the InChIKey of 1,3,3,4,4,5-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene?
The InChIKey is ZFQPNXQLMALSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F12O/c9-1-2(10)5(11,12)6(13,14)3(1)21-4(7(15,16)17)8(18,19)20/h2,4H.
What are the key properties of 1,3,3,4,4,5-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene?
1,3,3,4,4,5-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene has a molecular weight of 342.08 g/mol, XLogP of 4.30, 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-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene is sourced from PubChem (CID 175337754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).