1-ethenyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane

C8H3F11 — CID 18961385

IUPAC1-ethenyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane
SMILESC=CC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H3F11/c1-2-3(9)4(10,11)6(14,15)8(18,19)7(16,17)5(3,12)13/h2H,1H2
InChIKeyPQVNXVLRJPDISV-UHFFFAOYSA-N
MW308.09 g/mol
LogP4.07
Rot. Bonds1

About 1-ethenyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane

1-ethenyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane (PubChem CID 18961385) has the molecular formula C8H3F11 and a molecular weight of 308.09 g/mol. Its IUPAC name is 1-ethenyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane.

Molecular Properties

Compound Name1-ethenyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane
PubChem CID18961385
Molecular FormulaC8H3F11
Molecular Weight308.09 g/mol
Exact Mass308.01
IUPAC Name1-ethenyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane
SMILESC=CC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H3F11/c1-2-3(9)4(10,11)6(14,15)8(18,19)7(16,17)5(3,12)13/h2H,1H2
InChIKeyPQVNXVLRJPDISV-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.09
LogP ≤ 54.07
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-ethenyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane?
The IUPAC name of 1-ethenyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane (CID 18961385) is 1-ethenyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane.
What is the SMILES notation for 1-ethenyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane?
The canonical SMILES for 1-ethenyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane is C=CC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-ethenyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane?
The InChIKey is PQVNXVLRJPDISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F11/c1-2-3(9)4(10,11)6(14,15)8(18,19)7(16,17)5(3,12)13/h2H,1H2.
What are the key properties of 1-ethenyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane?
1-ethenyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane has a molecular weight of 308.09 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane is sourced from PubChem (CID 18961385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).