1,3,3,4,4-pentafluorocyclobutene

C4HF5 — CID 554177

IUPAC1,3,3,4,4-pentafluorocyclobutene
SMILESFC1=CC(F)(F)C1(F)F
InChIInChI=1S/C4HF5/c5-2-1-3(6,7)4(2,8)9/h1H
InChIKeyFNURRVLRQSNEFB-UHFFFAOYSA-N
MW144.04 g/mol
LogP2.12
Rot. Bonds

About 1,3,3,4,4-pentafluorocyclobutene

1,3,3,4,4-pentafluorocyclobutene (PubChem CID 554177) has the molecular formula C4HF5 and a molecular weight of 144.04 g/mol. Its IUPAC name is 1,3,3,4,4-pentafluorocyclobutene.

Molecular Properties

Compound Name1,3,3,4,4-pentafluorocyclobutene
PubChem CID554177
Molecular FormulaC4HF5
Molecular Weight144.04 g/mol
Exact Mass144.00
IUPAC Name1,3,3,4,4-pentafluorocyclobutene
SMILESFC1=CC(F)(F)C1(F)F
InChIInChI=1S/C4HF5/c5-2-1-3(6,7)4(2,8)9/h1H
InChIKeyFNURRVLRQSNEFB-UHFFFAOYSA-N
XLogP2.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.04
LogP ≤ 52.12
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 1,3,3,4,4-pentafluorocyclobutene?
The IUPAC name of 1,3,3,4,4-pentafluorocyclobutene (CID 554177) is 1,3,3,4,4-pentafluorocyclobutene.
What is the SMILES notation for 1,3,3,4,4-pentafluorocyclobutene?
The canonical SMILES for 1,3,3,4,4-pentafluorocyclobutene is FC1=CC(F)(F)C1(F)F.
What is the InChIKey of 1,3,3,4,4-pentafluorocyclobutene?
The InChIKey is FNURRVLRQSNEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF5/c5-2-1-3(6,7)4(2,8)9/h1H.
What are the key properties of 1,3,3,4,4-pentafluorocyclobutene?
1,3,3,4,4-pentafluorocyclobutene has a molecular weight of 144.04 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,4-pentafluorocyclobutene is sourced from PubChem (CID 554177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).