1-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclobutene

C9H5F11 — CID 175076525

IUPAC1-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclobutene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(C1=CCC1)C(F)(F)F
InChIInChI=1S/C9H5F11/c10-5(8(15,16)17,4-2-1-3-4)6(11,12)7(13,14)9(18,19)20/h2H,1,3H2
InChIKeyVATSCLNDTQNANX-UHFFFAOYSA-N
MW322.12 g/mol
LogP4.81
Rot. Bonds3

About 1-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclobutene

1-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclobutene (PubChem CID 175076525) has the molecular formula C9H5F11 and a molecular weight of 322.12 g/mol. Its IUPAC name is 1-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclobutene.

Molecular Properties

Compound Name1-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclobutene
PubChem CID175076525
Molecular FormulaC9H5F11
Molecular Weight322.12 g/mol
Exact Mass322.02
IUPAC Name1-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclobutene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(C1=CCC1)C(F)(F)F
InChIInChI=1S/C9H5F11/c10-5(8(15,16)17,4-2-1-3-4)6(11,12)7(13,14)9(18,19)20/h2H,1,3H2
InChIKeyVATSCLNDTQNANX-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.12
LogP ≤ 54.81
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 1-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclobutene?
The IUPAC name of 1-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclobutene (CID 175076525) is 1-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclobutene.
What is the SMILES notation for 1-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclobutene?
The canonical SMILES for 1-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclobutene is FC(F)(F)C(F)(F)C(F)(F)C(F)(C1=CCC1)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclobutene?
The InChIKey is VATSCLNDTQNANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F11/c10-5(8(15,16)17,4-2-1-3-4)6(11,12)7(13,14)9(18,19)20/h2H,1,3H2.
What are the key properties of 1-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclobutene?
1-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclobutene has a molecular weight of 322.12 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclobutene is sourced from PubChem (CID 175076525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).