1-(1,1,1,2,3,3,4,4,5,5,6,6,6-tridecafluorohexan-2-yl)cyclobutene

C10H5F13 — CID 175084144

IUPAC1-(1,1,1,2,3,3,4,4,5,5,6,6,6-tridecafluorohexan-2-yl)cyclobutene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C1=CCC1)C(F)(F)F
InChIInChI=1S/C10H5F13/c11-5(9(18,19)20,4-2-1-3-4)6(12,13)7(14,15)8(16,17)10(21,22)23/h2H,1,3H2
InChIKeyASRFPJBCNVDVJV-UHFFFAOYSA-N
MW372.12 g/mol
LogP5.45
Rot. Bonds4

About 1-(1,1,1,2,3,3,4,4,5,5,6,6,6-tridecafluorohexan-2-yl)cyclobutene

1-(1,1,1,2,3,3,4,4,5,5,6,6,6-tridecafluorohexan-2-yl)cyclobutene (PubChem CID 175084144) has the molecular formula C10H5F13 and a molecular weight of 372.12 g/mol. Its IUPAC name is 1-(1,1,1,2,3,3,4,4,5,5,6,6,6-tridecafluorohexan-2-yl)cyclobutene.

Molecular Properties

Compound Name1-(1,1,1,2,3,3,4,4,5,5,6,6,6-tridecafluorohexan-2-yl)cyclobutene
PubChem CID175084144
Molecular FormulaC10H5F13
Molecular Weight372.12 g/mol
Exact Mass372.02
IUPAC Name1-(1,1,1,2,3,3,4,4,5,5,6,6,6-tridecafluorohexan-2-yl)cyclobutene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C1=CCC1)C(F)(F)F
InChIInChI=1S/C10H5F13/c11-5(9(18,19)20,4-2-1-3-4)6(12,13)7(14,15)8(16,17)10(21,22)23/h2H,1,3H2
InChIKeyASRFPJBCNVDVJV-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.12
LogP ≤ 55.45
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-(1,1,1,2,3,3,4,4,5,5,6,6,6-tridecafluorohexan-2-yl)cyclobutene?
The IUPAC name of 1-(1,1,1,2,3,3,4,4,5,5,6,6,6-tridecafluorohexan-2-yl)cyclobutene (CID 175084144) is 1-(1,1,1,2,3,3,4,4,5,5,6,6,6-tridecafluorohexan-2-yl)cyclobutene.
What is the SMILES notation for 1-(1,1,1,2,3,3,4,4,5,5,6,6,6-tridecafluorohexan-2-yl)cyclobutene?
The canonical SMILES for 1-(1,1,1,2,3,3,4,4,5,5,6,6,6-tridecafluorohexan-2-yl)cyclobutene is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C1=CCC1)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,2,3,3,4,4,5,5,6,6,6-tridecafluorohexan-2-yl)cyclobutene?
The InChIKey is ASRFPJBCNVDVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F13/c11-5(9(18,19)20,4-2-1-3-4)6(12,13)7(14,15)8(16,17)10(21,22)23/h2H,1,3H2.
What are the key properties of 1-(1,1,1,2,3,3,4,4,5,5,6,6,6-tridecafluorohexan-2-yl)cyclobutene?
1-(1,1,1,2,3,3,4,4,5,5,6,6,6-tridecafluorohexan-2-yl)cyclobutene has a molecular weight of 372.12 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,2,3,3,4,4,5,5,6,6,6-tridecafluorohexan-2-yl)cyclobutene is sourced from PubChem (CID 175084144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).