2,2,3,3-tetrafluoro-4a,6-dimethyl-8,8a-dihydro-7H-1,4-benzodioxine

C10H12F4O2 — CID 162604526

IUPAC2,2,3,3-tetrafluoro-4a,6-dimethyl-8,8a-dihydro-7H-1,4-benzodioxine
SMILESCC1=CC2(C)OC(F)(F)C(F)(F)OC2CC1
InChIInChI=1S/C10H12F4O2/c1-6-3-4-7-8(2,5-6)16-10(13,14)9(11,12)15-7/h5,7H,3-4H2,1-2H3
InChIKeyMRHKAFRBQUEDPV-UHFFFAOYSA-N
MW240.20 g/mol
LogP3.09
Rot. Bonds

About 2,2,3,3-tetrafluoro-4a,6-dimethyl-8,8a-dihydro-7H-1,4-benzodioxine

2,2,3,3-tetrafluoro-4a,6-dimethyl-8,8a-dihydro-7H-1,4-benzodioxine (PubChem CID 162604526) has the molecular formula C10H12F4O2 and a molecular weight of 240.20 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-4a,6-dimethyl-8,8a-dihydro-7H-1,4-benzodioxine.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-4a,6-dimethyl-8,8a-dihydro-7H-1,4-benzodioxine
PubChem CID162604526
Molecular FormulaC10H12F4O2
Molecular Weight240.20 g/mol
Exact Mass240.08
IUPAC Name2,2,3,3-tetrafluoro-4a,6-dimethyl-8,8a-dihydro-7H-1,4-benzodioxine
SMILESCC1=CC2(C)OC(F)(F)C(F)(F)OC2CC1
InChIInChI=1S/C10H12F4O2/c1-6-3-4-7-8(2,5-6)16-10(13,14)9(11,12)15-7/h5,7H,3-4H2,1-2H3
InChIKeyMRHKAFRBQUEDPV-UHFFFAOYSA-N
XLogP3.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.20
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,2,3,3-tetrafluoro-4a,6-dimethyl-8,8a-dihydro-7H-1,4-benzodioxine?
The IUPAC name of 2,2,3,3-tetrafluoro-4a,6-dimethyl-8,8a-dihydro-7H-1,4-benzodioxine (CID 162604526) is 2,2,3,3-tetrafluoro-4a,6-dimethyl-8,8a-dihydro-7H-1,4-benzodioxine.
What is the SMILES notation for 2,2,3,3-tetrafluoro-4a,6-dimethyl-8,8a-dihydro-7H-1,4-benzodioxine?
The canonical SMILES for 2,2,3,3-tetrafluoro-4a,6-dimethyl-8,8a-dihydro-7H-1,4-benzodioxine is CC1=CC2(C)OC(F)(F)C(F)(F)OC2CC1.
What is the InChIKey of 2,2,3,3-tetrafluoro-4a,6-dimethyl-8,8a-dihydro-7H-1,4-benzodioxine?
The InChIKey is MRHKAFRBQUEDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4O2/c1-6-3-4-7-8(2,5-6)16-10(13,14)9(11,12)15-7/h5,7H,3-4H2,1-2H3.
What are the key properties of 2,2,3,3-tetrafluoro-4a,6-dimethyl-8,8a-dihydro-7H-1,4-benzodioxine?
2,2,3,3-tetrafluoro-4a,6-dimethyl-8,8a-dihydro-7H-1,4-benzodioxine has a molecular weight of 240.20 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-4a,6-dimethyl-8,8a-dihydro-7H-1,4-benzodioxine is sourced from PubChem (CID 162604526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).