3,3,4-trifluoro-1-(1,1,2,2,2-pentafluoroethyl)cyclobutene

C6H2F8 — CID 90736025

IUPAC3,3,4-trifluoro-1-(1,1,2,2,2-pentafluoroethyl)cyclobutene
SMILESFC1C(C(F)(F)C(F)(F)F)=CC1(F)F
InChIInChI=1S/C6H2F8/c7-3-2(1-4(3,8)9)5(10,11)6(12,13)14/h1,3H
InChIKeyMQODWFDIXJSBEX-UHFFFAOYSA-N
MW226.07 g/mol
LogP3.10
Rot. Bonds1

About 3,3,4-trifluoro-1-(1,1,2,2,2-pentafluoroethyl)cyclobutene

3,3,4-trifluoro-1-(1,1,2,2,2-pentafluoroethyl)cyclobutene (PubChem CID 90736025) has the molecular formula C6H2F8 and a molecular weight of 226.07 g/mol. Its IUPAC name is 3,3,4-trifluoro-1-(1,1,2,2,2-pentafluoroethyl)cyclobutene.

Molecular Properties

Compound Name3,3,4-trifluoro-1-(1,1,2,2,2-pentafluoroethyl)cyclobutene
PubChem CID90736025
Molecular FormulaC6H2F8
Molecular Weight226.07 g/mol
Exact Mass226.00
IUPAC Name3,3,4-trifluoro-1-(1,1,2,2,2-pentafluoroethyl)cyclobutene
SMILESFC1C(C(F)(F)C(F)(F)F)=CC1(F)F
InChIInChI=1S/C6H2F8/c7-3-2(1-4(3,8)9)5(10,11)6(12,13)14/h1,3H
InChIKeyMQODWFDIXJSBEX-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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-trifluoro-1-(1,1,2,2,2-pentafluoroethyl)cyclobutene?
The IUPAC name of 3,3,4-trifluoro-1-(1,1,2,2,2-pentafluoroethyl)cyclobutene (CID 90736025) is 3,3,4-trifluoro-1-(1,1,2,2,2-pentafluoroethyl)cyclobutene.
What is the SMILES notation for 3,3,4-trifluoro-1-(1,1,2,2,2-pentafluoroethyl)cyclobutene?
The canonical SMILES for 3,3,4-trifluoro-1-(1,1,2,2,2-pentafluoroethyl)cyclobutene is FC1C(C(F)(F)C(F)(F)F)=CC1(F)F.
What is the InChIKey of 3,3,4-trifluoro-1-(1,1,2,2,2-pentafluoroethyl)cyclobutene?
The InChIKey is MQODWFDIXJSBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F8/c7-3-2(1-4(3,8)9)5(10,11)6(12,13)14/h1,3H.
What are the key properties of 3,3,4-trifluoro-1-(1,1,2,2,2-pentafluoroethyl)cyclobutene?
3,3,4-trifluoro-1-(1,1,2,2,2-pentafluoroethyl)cyclobutene has a molecular weight of 226.07 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trifluoro-1-(1,1,2,2,2-pentafluoroethyl)cyclobutene is sourced from PubChem (CID 90736025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).