1,4,4,5,5-pentafluorocyclopentene

C5H3F5 — CID 12909412

IUPAC1,4,4,5,5-pentafluorocyclopentene
SMILESFC1=CCC(F)(F)C1(F)F
InChIInChI=1S/C5H3F5/c6-3-1-2-4(7,8)5(3,9)10/h1H,2H2
InChIKeyRBOPXRJOTRBMFD-UHFFFAOYSA-N
MW158.07 g/mol
LogP2.51
Rot. Bonds

About 1,4,4,5,5-pentafluorocyclopentene

1,4,4,5,5-pentafluorocyclopentene (PubChem CID 12909412) has the molecular formula C5H3F5 and a molecular weight of 158.07 g/mol. Its IUPAC name is 1,4,4,5,5-pentafluorocyclopentene.

Molecular Properties

Compound Name1,4,4,5,5-pentafluorocyclopentene
PubChem CID12909412
Molecular FormulaC5H3F5
Molecular Weight158.07 g/mol
Exact Mass158.02
IUPAC Name1,4,4,5,5-pentafluorocyclopentene
SMILESFC1=CCC(F)(F)C1(F)F
InChIInChI=1S/C5H3F5/c6-3-1-2-4(7,8)5(3,9)10/h1H,2H2
InChIKeyRBOPXRJOTRBMFD-UHFFFAOYSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.07
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1,4,4,5,5-pentafluorocyclopentene?
The IUPAC name of 1,4,4,5,5-pentafluorocyclopentene (CID 12909412) is 1,4,4,5,5-pentafluorocyclopentene.
What is the SMILES notation for 1,4,4,5,5-pentafluorocyclopentene?
The canonical SMILES for 1,4,4,5,5-pentafluorocyclopentene is FC1=CCC(F)(F)C1(F)F.
What is the InChIKey of 1,4,4,5,5-pentafluorocyclopentene?
The InChIKey is RBOPXRJOTRBMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F5/c6-3-1-2-4(7,8)5(3,9)10/h1H,2H2.
What are the key properties of 1,4,4,5,5-pentafluorocyclopentene?
1,4,4,5,5-pentafluorocyclopentene has a molecular weight of 158.07 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4,5,5-pentafluorocyclopentene is sourced from PubChem (CID 12909412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).