1-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclobutene

C8H5F9 — CID 175084075

IUPAC1-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclobutene
SMILESFC(F)(F)C(F)(F)C(F)(C1=CCC1)C(F)(F)F
InChIInChI=1S/C8H5F9/c9-5(7(12,13)14,4-2-1-3-4)6(10,11)8(15,16)17/h2H,1,3H2
InChIKeyGMJPIGZBQOIGOC-UHFFFAOYSA-N
MW272.11 g/mol
LogP4.17
Rot. Bonds2

About 1-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclobutene

1-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclobutene (PubChem CID 175084075) has the molecular formula C8H5F9 and a molecular weight of 272.11 g/mol. Its IUPAC name is 1-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclobutene.

Molecular Properties

Compound Name1-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclobutene
PubChem CID175084075
Molecular FormulaC8H5F9
Molecular Weight272.11 g/mol
Exact Mass272.02
IUPAC Name1-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclobutene
SMILESFC(F)(F)C(F)(F)C(F)(C1=CCC1)C(F)(F)F
InChIInChI=1S/C8H5F9/c9-5(7(12,13)14,4-2-1-3-4)6(10,11)8(15,16)17/h2H,1,3H2
InChIKeyGMJPIGZBQOIGOC-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.11
LogP ≤ 54.17
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'}

Analyze 1-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclobutene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclobutene?
The IUPAC name of 1-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclobutene (CID 175084075) is 1-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclobutene.
What is the SMILES notation for 1-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclobutene?
The canonical SMILES for 1-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclobutene is FC(F)(F)C(F)(F)C(F)(C1=CCC1)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclobutene?
The InChIKey is GMJPIGZBQOIGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F9/c9-5(7(12,13)14,4-2-1-3-4)6(10,11)8(15,16)17/h2H,1,3H2.
What are the key properties of 1-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclobutene?
1-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclobutene has a molecular weight of 272.11 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclobutene is sourced from PubChem (CID 175084075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).