4-ethenyl-1-prop-1-enyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentane

C16H15F13 — CID 122595025

IUPAC4-ethenyl-1-prop-1-enyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentane
SMILESC=CC1CC(C=CC)C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1
InChIInChI=1S/C16H15F13/c1-3-5-9-6-8(4-2)7-10(9)11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h3-5,8-10H,2,6-7H2,1H3
InChIKeyIVZKGLOQSHRGSV-UHFFFAOYSA-N
MW454.27 g/mol
LogP7.13
Rot. Bonds7

About 4-ethenyl-1-prop-1-enyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentane

4-ethenyl-1-prop-1-enyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentane (PubChem CID 122595025) has the molecular formula C16H15F13 and a molecular weight of 454.27 g/mol. Its IUPAC name is 4-ethenyl-1-prop-1-enyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentane.

Molecular Properties

Compound Name4-ethenyl-1-prop-1-enyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentane
PubChem CID122595025
Molecular FormulaC16H15F13
Molecular Weight454.27 g/mol
Exact Mass454.10
IUPAC Name4-ethenyl-1-prop-1-enyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentane
SMILESC=CC1CC(C=CC)C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1
InChIInChI=1S/C16H15F13/c1-3-5-9-6-8(4-2)7-10(9)11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h3-5,8-10H,2,6-7H2,1H3
InChIKeyIVZKGLOQSHRGSV-UHFFFAOYSA-N
XLogP7.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.27
LogP ≤ 57.13
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 4-ethenyl-1-prop-1-enyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentane?
The IUPAC name of 4-ethenyl-1-prop-1-enyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentane (CID 122595025) is 4-ethenyl-1-prop-1-enyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentane.
What is the SMILES notation for 4-ethenyl-1-prop-1-enyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentane?
The canonical SMILES for 4-ethenyl-1-prop-1-enyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentane is C=CC1CC(C=CC)C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1.
What is the InChIKey of 4-ethenyl-1-prop-1-enyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentane?
The InChIKey is IVZKGLOQSHRGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F13/c1-3-5-9-6-8(4-2)7-10(9)11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h3-5,8-10H,2,6-7H2,1H3.
What are the key properties of 4-ethenyl-1-prop-1-enyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentane?
4-ethenyl-1-prop-1-enyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentane has a molecular weight of 454.27 g/mol, XLogP of 7.13, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-prop-1-enyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentane is sourced from PubChem (CID 122595025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).