2-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine

C10H6F4O2 — CID 87538226

IUPAC2-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine
SMILESFC1(F)C=CC=C(C2=COC=CO2)C1(F)F
InChIInChI=1S/C10H6F4O2/c11-9(12)3-1-2-7(10(9,13)14)8-6-15-4-5-16-8/h1-6H
InChIKeyAJZOLNAAJIVSHH-UHFFFAOYSA-N
MW234.15 g/mol
LogP3.11
Rot. Bonds1

About 2-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine

2-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine (PubChem CID 87538226) has the molecular formula C10H6F4O2 and a molecular weight of 234.15 g/mol. Its IUPAC name is 2-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine.

Molecular Properties

Compound Name2-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine
PubChem CID87538226
Molecular FormulaC10H6F4O2
Molecular Weight234.15 g/mol
Exact Mass234.03
IUPAC Name2-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine
SMILESFC1(F)C=CC=C(C2=COC=CO2)C1(F)F
InChIInChI=1S/C10H6F4O2/c11-9(12)3-1-2-7(10(9,13)14)8-6-15-4-5-16-8/h1-6H
InChIKeyAJZOLNAAJIVSHH-UHFFFAOYSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.15
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine?
The IUPAC name of 2-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine (CID 87538226) is 2-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine.
What is the SMILES notation for 2-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine?
The canonical SMILES for 2-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine is FC1(F)C=CC=C(C2=COC=CO2)C1(F)F.
What is the InChIKey of 2-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine?
The InChIKey is AJZOLNAAJIVSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F4O2/c11-9(12)3-1-2-7(10(9,13)14)8-6-15-4-5-16-8/h1-6H.
What are the key properties of 2-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine?
2-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine has a molecular weight of 234.15 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine is sourced from PubChem (CID 87538226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).