2,2-difluoro-4,6-dimethoxy-1,3-benzodioxole

C9H8F2O4 — CID 166608241

IUPAC2,2-difluoro-4,6-dimethoxy-1,3-benzodioxole
SMILESCOc1cc(OC)c2c(c1)OC(F)(F)O2
InChIInChI=1S/C9H8F2O4/c1-12-5-3-6(13-2)8-7(4-5)14-9(10,11)15-8/h3-4H,1-2H3
InChIKeyNRIQRZIDTZUOBT-UHFFFAOYSA-N
MW218.15 g/mol
LogP2.03
Rot. Bonds2

About 2,2-difluoro-4,6-dimethoxy-1,3-benzodioxole

2,2-difluoro-4,6-dimethoxy-1,3-benzodioxole (PubChem CID 166608241) has the molecular formula C9H8F2O4 and a molecular weight of 218.15 g/mol. Its IUPAC name is 2,2-difluoro-4,6-dimethoxy-1,3-benzodioxole.

Molecular Properties

Compound Name2,2-difluoro-4,6-dimethoxy-1,3-benzodioxole
PubChem CID166608241
Molecular FormulaC9H8F2O4
Molecular Weight218.15 g/mol
Exact Mass218.04
IUPAC Name2,2-difluoro-4,6-dimethoxy-1,3-benzodioxole
SMILESCOc1cc(OC)c2c(c1)OC(F)(F)O2
InChIInChI=1S/C9H8F2O4/c1-12-5-3-6(13-2)8-7(4-5)14-9(10,11)15-8/h3-4H,1-2H3
InChIKeyNRIQRZIDTZUOBT-UHFFFAOYSA-N
XLogP2.03
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.15
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4,6-dimethoxy-1,3-benzodioxole?
The IUPAC name of 2,2-difluoro-4,6-dimethoxy-1,3-benzodioxole (CID 166608241) is 2,2-difluoro-4,6-dimethoxy-1,3-benzodioxole.
What is the SMILES notation for 2,2-difluoro-4,6-dimethoxy-1,3-benzodioxole?
The canonical SMILES for 2,2-difluoro-4,6-dimethoxy-1,3-benzodioxole is COc1cc(OC)c2c(c1)OC(F)(F)O2.
What is the InChIKey of 2,2-difluoro-4,6-dimethoxy-1,3-benzodioxole?
The InChIKey is NRIQRZIDTZUOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O4/c1-12-5-3-6(13-2)8-7(4-5)14-9(10,11)15-8/h3-4H,1-2H3.
What are the key properties of 2,2-difluoro-4,6-dimethoxy-1,3-benzodioxole?
2,2-difluoro-4,6-dimethoxy-1,3-benzodioxole has a molecular weight of 218.15 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4,6-dimethoxy-1,3-benzodioxole is sourced from PubChem (CID 166608241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).