4-(2,2-difluoro-5-methyl-1,3-benzodioxol-4-yl)-2,2-difluoro-5-methyl-1,3-benzodioxole

C16H10F4O4 — CID 90686715

IUPAC4-(2,2-difluoro-5-methyl-1,3-benzodioxol-4-yl)-2,2-difluoro-5-methyl-1,3-benzodioxole
SMILESCc1ccc2c(c1-c1c(C)ccc3c1OC(F)(F)O3)OC(F)(F)O2
InChIInChI=1S/C16H10F4O4/c1-7-3-5-9-13(23-15(17,18)21-9)11(7)12-8(2)4-6-10-14(12)24-16(19,20)22-10/h3-6H,1-2H3
InChIKeyWIXSMJFIYATELU-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.61
Rot. Bonds1

About 4-(2,2-difluoro-5-methyl-1,3-benzodioxol-4-yl)-2,2-difluoro-5-methyl-1,3-benzodioxole

4-(2,2-difluoro-5-methyl-1,3-benzodioxol-4-yl)-2,2-difluoro-5-methyl-1,3-benzodioxole (PubChem CID 90686715) has the molecular formula C16H10F4O4 and a molecular weight of 342.24 g/mol. Its IUPAC name is 4-(2,2-difluoro-5-methyl-1,3-benzodioxol-4-yl)-2,2-difluoro-5-methyl-1,3-benzodioxole.

Molecular Properties

Compound Name4-(2,2-difluoro-5-methyl-1,3-benzodioxol-4-yl)-2,2-difluoro-5-methyl-1,3-benzodioxole
PubChem CID90686715
Molecular FormulaC16H10F4O4
Molecular Weight342.24 g/mol
Exact Mass342.05
IUPAC Name4-(2,2-difluoro-5-methyl-1,3-benzodioxol-4-yl)-2,2-difluoro-5-methyl-1,3-benzodioxole
SMILESCc1ccc2c(c1-c1c(C)ccc3c1OC(F)(F)O3)OC(F)(F)O2
InChIInChI=1S/C16H10F4O4/c1-7-3-5-9-13(23-15(17,18)21-9)11(7)12-8(2)4-6-10-14(12)24-16(19,20)22-10/h3-6H,1-2H3
InChIKeyWIXSMJFIYATELU-UHFFFAOYSA-N
XLogP4.61
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2,2-difluoro-5-methyl-1,3-benzodioxol-4-yl)-2,2-difluoro-5-methyl-1,3-benzodioxole with MolForge

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Related Compounds

CID 153376788
CID 153376788
bis(2,2-difluoro-4-methyl-1,3-benzodioxol-5-yl)methanone
CID 154169130
4-ethyl-2,2-difluoro-7-methyl-1,3-benzodioxole
CID 123559442
[4-[2,2-difluoro-5-[methyl(diphenyl)phosphaniumyl]-1,3-benzodioxol-4-yl]-2,2-difluoro-1,3-benzodioxol-5-yl]-methyl-diphenylphosphanium
CID 91610069
2,2-difluoro-4-methyl-5-propyl-1,3-benzodioxole
CID 167678382
2-chloro-1,3-dimethylbenzene;2,2-difluoro-4-methyl-1,3-benzodioxole;2-fluoro-1,3-dimethylbenzene
CID 158133029
N,4-diethyl-2,2-difluoro-1,3-benzodioxol-5-amine
CID 167259987
ethyl 5-amino-2,2-difluoro-1,3-benzodioxole-4-carboxylate
CID 167740632
[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;ruthenium(2+);dichloride
CID 51001061
4,7-diethyl-2,2-difluoro-1,3-benzodioxole
CID 70835878
2,2-difluoro-6-methyl-6,7-dihydrofuro[3,2-g][1,3]benzodioxole
CID 150669089
5-chloro-2,2-difluoro-1,3-benzodioxole-4-sulfonamide
CID 97109588

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoro-5-methyl-1,3-benzodioxol-4-yl)-2,2-difluoro-5-methyl-1,3-benzodioxole?
The IUPAC name of 4-(2,2-difluoro-5-methyl-1,3-benzodioxol-4-yl)-2,2-difluoro-5-methyl-1,3-benzodioxole (CID 90686715) is 4-(2,2-difluoro-5-methyl-1,3-benzodioxol-4-yl)-2,2-difluoro-5-methyl-1,3-benzodioxole.
What is the SMILES notation for 4-(2,2-difluoro-5-methyl-1,3-benzodioxol-4-yl)-2,2-difluoro-5-methyl-1,3-benzodioxole?
The canonical SMILES for 4-(2,2-difluoro-5-methyl-1,3-benzodioxol-4-yl)-2,2-difluoro-5-methyl-1,3-benzodioxole is Cc1ccc2c(c1-c1c(C)ccc3c1OC(F)(F)O3)OC(F)(F)O2.
What is the InChIKey of 4-(2,2-difluoro-5-methyl-1,3-benzodioxol-4-yl)-2,2-difluoro-5-methyl-1,3-benzodioxole?
The InChIKey is WIXSMJFIYATELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4O4/c1-7-3-5-9-13(23-15(17,18)21-9)11(7)12-8(2)4-6-10-14(12)24-16(19,20)22-10/h3-6H,1-2H3.
What are the key properties of 4-(2,2-difluoro-5-methyl-1,3-benzodioxol-4-yl)-2,2-difluoro-5-methyl-1,3-benzodioxole?
4-(2,2-difluoro-5-methyl-1,3-benzodioxol-4-yl)-2,2-difluoro-5-methyl-1,3-benzodioxole has a molecular weight of 342.24 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoro-5-methyl-1,3-benzodioxol-4-yl)-2,2-difluoro-5-methyl-1,3-benzodioxole is sourced from PubChem (CID 90686715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).