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

C10H6F4O3 — CID 87288579

IUPAC6-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1,4-dioxin-2-ol
SMILESOC1=COC=C(C2=CC=CC(F)(F)C2(F)F)O1
InChIInChI=1S/C10H6F4O3/c11-9(12)3-1-2-6(10(9,13)14)7-4-16-5-8(15)17-7/h1-5,15H
InChIKeyAYEIIWDRZADHFX-UHFFFAOYSA-N
MW250.15 g/mol
LogP3.00
Rot. Bonds1

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

6-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1,4-dioxin-2-ol (PubChem CID 87288579) has the molecular formula C10H6F4O3 and a molecular weight of 250.15 g/mol. Its IUPAC name is 6-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1,4-dioxin-2-ol.

Molecular Properties

Compound Name6-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1,4-dioxin-2-ol
PubChem CID87288579
Molecular FormulaC10H6F4O3
Molecular Weight250.15 g/mol
Exact Mass250.03
IUPAC Name6-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1,4-dioxin-2-ol
SMILESOC1=COC=C(C2=CC=CC(F)(F)C2(F)F)O1
InChIInChI=1S/C10H6F4O3/c11-9(12)3-1-2-6(10(9,13)14)7-4-16-5-8(15)17-7/h1-5,15H
InChIKeyAYEIIWDRZADHFX-UHFFFAOYSA-N
XLogP3.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.15
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1,4-dioxin-2-ol?
The IUPAC name of 6-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1,4-dioxin-2-ol (CID 87288579) is 6-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1,4-dioxin-2-ol.
What is the SMILES notation for 6-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1,4-dioxin-2-ol?
The canonical SMILES for 6-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1,4-dioxin-2-ol is OC1=COC=C(C2=CC=CC(F)(F)C2(F)F)O1.
What is the InChIKey of 6-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1,4-dioxin-2-ol?
The InChIKey is AYEIIWDRZADHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F4O3/c11-9(12)3-1-2-6(10(9,13)14)7-4-16-5-8(15)17-7/h1-5,15H.
What are the key properties of 6-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1,4-dioxin-2-ol?
6-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1,4-dioxin-2-ol has a molecular weight of 250.15 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1,4-dioxin-2-ol is sourced from PubChem (CID 87288579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).