5,6,7,8-tetrafluoro-2,3-dihydro-1,4-benzodioxine

C8H4F4O2 — CID 2776587

IUPAC5,6,7,8-tetrafluoro-2,3-dihydro-1,4-benzodioxine
SMILESFc1c(F)c(F)c2c(c1F)OCCO2
InChIInChI=1S/C8H4F4O2/c9-3-4(10)6(12)8-7(5(3)11)13-1-2-14-8/h1-2H2
InChIKeyKKPOQYDRSXVVEJ-UHFFFAOYSA-N
MW208.11 g/mol
LogP2.01
Rot. Bonds

About 5,6,7,8-tetrafluoro-2,3-dihydro-1,4-benzodioxine

5,6,7,8-tetrafluoro-2,3-dihydro-1,4-benzodioxine (PubChem CID 2776587) has the molecular formula C8H4F4O2 and a molecular weight of 208.11 g/mol. Its IUPAC name is 5,6,7,8-tetrafluoro-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name5,6,7,8-tetrafluoro-2,3-dihydro-1,4-benzodioxine
PubChem CID2776587
Molecular FormulaC8H4F4O2
Molecular Weight208.11 g/mol
Exact Mass208.01
IUPAC Name5,6,7,8-tetrafluoro-2,3-dihydro-1,4-benzodioxine
SMILESFc1c(F)c(F)c2c(c1F)OCCO2
InChIInChI=1S/C8H4F4O2/c9-3-4(10)6(12)8-7(5(3)11)13-1-2-14-8/h1-2H2
InChIKeyKKPOQYDRSXVVEJ-UHFFFAOYSA-N
XLogP2.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.11
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrafluoro-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 5,6,7,8-tetrafluoro-2,3-dihydro-1,4-benzodioxine (CID 2776587) is 5,6,7,8-tetrafluoro-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 5,6,7,8-tetrafluoro-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 5,6,7,8-tetrafluoro-2,3-dihydro-1,4-benzodioxine is Fc1c(F)c(F)c2c(c1F)OCCO2.
What is the InChIKey of 5,6,7,8-tetrafluoro-2,3-dihydro-1,4-benzodioxine?
The InChIKey is KKPOQYDRSXVVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4O2/c9-3-4(10)6(12)8-7(5(3)11)13-1-2-14-8/h1-2H2.
What are the key properties of 5,6,7,8-tetrafluoro-2,3-dihydro-1,4-benzodioxine?
5,6,7,8-tetrafluoro-2,3-dihydro-1,4-benzodioxine has a molecular weight of 208.11 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrafluoro-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 2776587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).