3,3,4,4,5-pentafluoro-1-(1,2,3,3-tetrafluoropropoxy)cyclopentene

C8H5F9O — CID 175337746

IUPAC3,3,4,4,5-pentafluoro-1-(1,2,3,3-tetrafluoropropoxy)cyclopentene
SMILESFC(F)C(F)C(F)OC1=CC(F)(F)C(F)(F)C1F
InChIInChI=1S/C8H5F9O/c9-3(5(11)12)6(13)18-2-1-7(14,15)8(16,17)4(2)10/h1,3-6H
InChIKeyUPWVVOGYNCBUIQ-UHFFFAOYSA-N
MW288.11 g/mol
LogP3.41
Rot. Bonds4

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

3,3,4,4,5-pentafluoro-1-(1,2,3,3-tetrafluoropropoxy)cyclopentene (PubChem CID 175337746) has the molecular formula C8H5F9O and a molecular weight of 288.11 g/mol. Its IUPAC name is 3,3,4,4,5-pentafluoro-1-(1,2,3,3-tetrafluoropropoxy)cyclopentene.

Molecular Properties

Compound Name3,3,4,4,5-pentafluoro-1-(1,2,3,3-tetrafluoropropoxy)cyclopentene
PubChem CID175337746
Molecular FormulaC8H5F9O
Molecular Weight288.11 g/mol
Exact Mass288.02
IUPAC Name3,3,4,4,5-pentafluoro-1-(1,2,3,3-tetrafluoropropoxy)cyclopentene
SMILESFC(F)C(F)C(F)OC1=CC(F)(F)C(F)(F)C1F
InChIInChI=1S/C8H5F9O/c9-3(5(11)12)6(13)18-2-1-7(14,15)8(16,17)4(2)10/h1,3-6H
InChIKeyUPWVVOGYNCBUIQ-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.11
LogP ≤ 53.41
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 3,3,4,4,5-pentafluoro-1-(1,2,3,3-tetrafluoropropoxy)cyclopentene?
The IUPAC name of 3,3,4,4,5-pentafluoro-1-(1,2,3,3-tetrafluoropropoxy)cyclopentene (CID 175337746) is 3,3,4,4,5-pentafluoro-1-(1,2,3,3-tetrafluoropropoxy)cyclopentene.
What is the SMILES notation for 3,3,4,4,5-pentafluoro-1-(1,2,3,3-tetrafluoropropoxy)cyclopentene?
The canonical SMILES for 3,3,4,4,5-pentafluoro-1-(1,2,3,3-tetrafluoropropoxy)cyclopentene is FC(F)C(F)C(F)OC1=CC(F)(F)C(F)(F)C1F.
What is the InChIKey of 3,3,4,4,5-pentafluoro-1-(1,2,3,3-tetrafluoropropoxy)cyclopentene?
The InChIKey is UPWVVOGYNCBUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F9O/c9-3(5(11)12)6(13)18-2-1-7(14,15)8(16,17)4(2)10/h1,3-6H.
What are the key properties of 3,3,4,4,5-pentafluoro-1-(1,2,3,3-tetrafluoropropoxy)cyclopentene?
3,3,4,4,5-pentafluoro-1-(1,2,3,3-tetrafluoropropoxy)cyclopentene has a molecular weight of 288.11 g/mol, XLogP of 3.41, 4 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-1-(1,2,3,3-tetrafluoropropoxy)cyclopentene is sourced from PubChem (CID 175337746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).