4,6-difluoro-3,7-dimethoxydibenzofuran;4,6-difluoro-3,7-dimethyldibenzofuran;4,6-difluoro-3-methoxy-7-methyldibenzofuran;4,6-difluoro-3-methoxy-7-(trifluoromethyl)dibenzofuran;4,6-difluoro-3-methyl-7-(trifluoromethyl)dibenzofuran;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene;3,4,6-trifluoro-7-methoxydibenzofuran;3,4,6-trifluoro-7-methyldibenzofuran

C112H76F26O12 — CID 159164429

IUPAC4,6-difluoro-3,7-dimethoxydibenzofuran;4,6-difluoro-3,7-dimethyldibenzofuran;4,6-difluoro-3-methoxy-7-methyldibenzofuran;4,6-difluoro-3-methoxy-7-(trifluoromethyl)dibenzofuran;4,6-difluoro-3-methyl-7-(trifluoromethyl)dibenzofuran;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene;3,4,6-trifluoro-7-methoxydibenzofuran;3,4,6-trifluoro-7-methyldibenzofuran
SMILESCC1CCC(C2Cc3ccc(F)c(F)c3C2(F)F)CC1.COc1ccc2c(oc3c(F)c(C(F)(F)F)ccc32)c1F.COc1ccc2c(oc3c(F)c(C)ccc32)c1F.COc1ccc2c(oc3c(F)c(F)ccc32)c1F.COc1ccc2c(oc3c(F)c(OC)ccc32)c1F.Cc1ccc2c(oc3c(F)c(C(F)(F)F)ccc32)c1F.Cc1ccc2c(oc3c(F)c(C)ccc32)c1F.Cc1ccc2c(oc3c(F)c(F)ccc32)c1F
InChIInChI=1S/C16H18F4.C14H7F5O2.C14H7F5O.C14H10F2O3.C14H10F2O2.C14H10F2O.C13H7F3O2.C13H7F3O/c1-9-2-4-10(5-3-9)12-8-11-6-7-13(17)15(18)14(11)16(12,19)20;1-20-9-5-3-7-6-2-4-8(14(17,18)19)10(15)12(6)21-13(7)11(9)16;1-6-2-3-7-8-4-5-9(14(17,18)19)11(16)13(8)20-12(7)10(6)15;1-17-9-5-3-7-8-4-6-10(18-2)12(16)14(8)19-13(7)11(9)15;1-7-3-4-8-9-5-6-10(17-2)12(16)14(9)18-13(8)11(7)15;1-7-3-5-9-10-6-4-8(2)12(16)14(10)17-13(9)11(7)15;1-17-9-5-3-7-6-2-4-8(14)10(15)12(6)18-13(7)11(9)16;1-6-2-3-7-8-4-5-9(14)11(16)13(8)17-12(7)10(6)15/h6-7,9-10,12H,2-5,8H2,1H3;2-5H,1H3;2-5H,1H3;3-6H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;2-5H,1H3;2-5H,1H3
InChIKeyKKWVZFDTVDFJRB-UHFFFAOYSA-N
MW2107.78 g/mol
LogP36.01
Rot. Bonds6

About 4,6-difluoro-3,7-dimethoxydibenzofuran;4,6-difluoro-3,7-dimethyldibenzofuran;4,6-difluoro-3-methoxy-7-methyldibenzofuran;4,6-difluoro-3-methoxy-7-(trifluoromethyl)dibenzofuran;4,6-difluoro-3-methyl-7-(trifluoromethyl)dibenzofuran;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene;3,4,6-trifluoro-7-methoxydibenzofuran;3,4,6-trifluoro-7-methyldibenzofuran

4,6-difluoro-3,7-dimethoxydibenzofuran;4,6-difluoro-3,7-dimethyldibenzofuran;4,6-difluoro-3-methoxy-7-methyldibenzofuran;4,6-difluoro-3-methoxy-7-(trifluoromethyl)dibenzofuran;4,6-difluoro-3-methyl-7-(trifluoromethyl)dibenzofuran;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene;3,4,6-trifluoro-7-methoxydibenzofuran;3,4,6-trifluoro-7-methyldibenzofuran (PubChem CID 159164429) has the molecular formula C112H76F26O12 and a molecular weight of 2107.78 g/mol. Its IUPAC name is 4,6-difluoro-3,7-dimethoxydibenzofuran;4,6-difluoro-3,7-dimethyldibenzofuran;4,6-difluoro-3-methoxy-7-methyldibenzofuran;4,6-difluoro-3-methoxy-7-(trifluoromethyl)dibenzofuran;4,6-difluoro-3-methyl-7-(trifluoromethyl)dibenzofuran;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene;3,4,6-trifluoro-7-methoxydibenzofuran;3,4,6-trifluoro-7-methyldibenzofuran.

Molecular Properties

Compound Name4,6-difluoro-3,7-dimethoxydibenzofuran;4,6-difluoro-3,7-dimethyldibenzofuran;4,6-difluoro-3-methoxy-7-methyldibenzofuran;4,6-difluoro-3-methoxy-7-(trifluoromethyl)dibenzofuran;4,6-difluoro-3-methyl-7-(trifluoromethyl)dibenzofuran;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene;3,4,6-trifluoro-7-methoxydibenzofuran;3,4,6-trifluoro-7-methyldibenzofuran
PubChem CID159164429
Molecular FormulaC112H76F26O12
Molecular Weight2107.78 g/mol
Exact Mass2106.49
IUPAC Name4,6-difluoro-3,7-dimethoxydibenzofuran;4,6-difluoro-3,7-dimethyldibenzofuran;4,6-difluoro-3-methoxy-7-methyldibenzofuran;4,6-difluoro-3-methoxy-7-(trifluoromethyl)dibenzofuran;4,6-difluoro-3-methyl-7-(trifluoromethyl)dibenzofuran;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene;3,4,6-trifluoro-7-methoxydibenzofuran;3,4,6-trifluoro-7-methyldibenzofuran
SMILESCC1CCC(C2Cc3ccc(F)c(F)c3C2(F)F)CC1.COc1ccc2c(oc3c(F)c(C(F)(F)F)ccc32)c1F.COc1ccc2c(oc3c(F)c(C)ccc32)c1F.COc1ccc2c(oc3c(F)c(F)ccc32)c1F.COc1ccc2c(oc3c(F)c(OC)ccc32)c1F.Cc1ccc2c(oc3c(F)c(C(F)(F)F)ccc32)c1F.Cc1ccc2c(oc3c(F)c(C)ccc32)c1F.Cc1ccc2c(oc3c(F)c(F)ccc32)c1F
InChIInChI=1S/C16H18F4.C14H7F5O2.C14H7F5O.C14H10F2O3.C14H10F2O2.C14H10F2O.C13H7F3O2.C13H7F3O/c1-9-2-4-10(5-3-9)12-8-11-6-7-13(17)15(18)14(11)16(12,19)20;1-20-9-5-3-7-6-2-4-8(14(17,18)19)10(15)12(6)21-13(7)11(9)16;1-6-2-3-7-8-4-5-9(14(17,18)19)11(16)13(8)20-12(7)10(6)15;1-17-9-5-3-7-8-4-6-10(18-2)12(16)14(8)19-13(7)11(9)15;1-7-3-4-8-9-5-6-10(17-2)12(16)14(9)18-13(8)11(7)15;1-7-3-5-9-10-6-4-8(2)12(16)14(10)17-13(9)11(7)15;1-17-9-5-3-7-6-2-4-8(14)10(15)12(6)18-13(7)11(9)16;1-6-2-3-7-8-4-5-9(14)11(16)13(8)17-12(7)10(6)15/h6-7,9-10,12H,2-5,8H2,1H3;2-5H,1H3;2-5H,1H3;3-6H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;2-5H,1H3;2-5H,1H3
InChIKeyKKWVZFDTVDFJRB-UHFFFAOYSA-N
XLogP36.01
TPSA138.13 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002107.78
LogP ≤ 536.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4,6-difluoro-3,7-dimethoxydibenzofuran;4,6-difluoro-3,7-dimethyldibenzofuran;4,6-difluoro-3-methoxy-7-methyldibenzofuran;4,6-difluoro-3-methoxy-7-(trifluoromethyl)dibenzofuran;4,6-difluoro-3-methyl-7-(trifluoromethyl)dibenzofuran;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene;3,4,6-trifluoro-7-methoxydibenzofuran;3,4,6-trifluoro-7-methyldibenzofuran with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-3,7-dimethoxydibenzofuran;4,6-difluoro-3,7-dimethyldibenzofuran;4,6-difluoro-3-methoxy-7-methyldibenzofuran;4,6-difluoro-3-methoxy-7-(trifluoromethyl)dibenzofuran;4,6-difluoro-3-methyl-7-(trifluoromethyl)dibenzofuran;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene;3,4,6-trifluoro-7-methoxydibenzofuran;3,4,6-trifluoro-7-methyldibenzofuran?
The IUPAC name of 4,6-difluoro-3,7-dimethoxydibenzofuran;4,6-difluoro-3,7-dimethyldibenzofuran;4,6-difluoro-3-methoxy-7-methyldibenzofuran;4,6-difluoro-3-methoxy-7-(trifluoromethyl)dibenzofuran;4,6-difluoro-3-methyl-7-(trifluoromethyl)dibenzofuran;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene;3,4,6-trifluoro-7-methoxydibenzofuran;3,4,6-trifluoro-7-methyldibenzofuran (CID 159164429) is 4,6-difluoro-3,7-dimethoxydibenzofuran;4,6-difluoro-3,7-dimethyldibenzofuran;4,6-difluoro-3-methoxy-7-methyldibenzofuran;4,6-difluoro-3-methoxy-7-(trifluoromethyl)dibenzofuran;4,6-difluoro-3-methyl-7-(trifluoromethyl)dibenzofuran;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene;3,4,6-trifluoro-7-methoxydibenzofuran;3,4,6-trifluoro-7-methyldibenzofuran.
What is the SMILES notation for 4,6-difluoro-3,7-dimethoxydibenzofuran;4,6-difluoro-3,7-dimethyldibenzofuran;4,6-difluoro-3-methoxy-7-methyldibenzofuran;4,6-difluoro-3-methoxy-7-(trifluoromethyl)dibenzofuran;4,6-difluoro-3-methyl-7-(trifluoromethyl)dibenzofuran;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene;3,4,6-trifluoro-7-methoxydibenzofuran;3,4,6-trifluoro-7-methyldibenzofuran?
The canonical SMILES for 4,6-difluoro-3,7-dimethoxydibenzofuran;4,6-difluoro-3,7-dimethyldibenzofuran;4,6-difluoro-3-methoxy-7-methyldibenzofuran;4,6-difluoro-3-methoxy-7-(trifluoromethyl)dibenzofuran;4,6-difluoro-3-methyl-7-(trifluoromethyl)dibenzofuran;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene;3,4,6-trifluoro-7-methoxydibenzofuran;3,4,6-trifluoro-7-methyldibenzofuran is CC1CCC(C2Cc3ccc(F)c(F)c3C2(F)F)CC1.COc1ccc2c(oc3c(F)c(C(F)(F)F)ccc32)c1F.COc1ccc2c(oc3c(F)c(C)ccc32)c1F.COc1ccc2c(oc3c(F)c(F)ccc32)c1F.COc1ccc2c(oc3c(F)c(OC)ccc32)c1F.Cc1ccc2c(oc3c(F)c(C(F)(F)F)ccc32)c1F.Cc1ccc2c(oc3c(F)c(C)ccc32)c1F.Cc1ccc2c(oc3c(F)c(F)ccc32)c1F.
What is the InChIKey of 4,6-difluoro-3,7-dimethoxydibenzofuran;4,6-difluoro-3,7-dimethyldibenzofuran;4,6-difluoro-3-methoxy-7-methyldibenzofuran;4,6-difluoro-3-methoxy-7-(trifluoromethyl)dibenzofuran;4,6-difluoro-3-methyl-7-(trifluoromethyl)dibenzofuran;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene;3,4,6-trifluoro-7-methoxydibenzofuran;3,4,6-trifluoro-7-methyldibenzofuran?
The InChIKey is KKWVZFDTVDFJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F4.C14H7F5O2.C14H7F5O.C14H10F2O3.C14H10F2O2.C14H10F2O.C13H7F3O2.C13H7F3O/c1-9-2-4-10(5-3-9)12-8-11-6-7-13(17)15(18)14(11)16(12,19)20;1-20-9-5-3-7-6-2-4-8(14(17,18)19)10(15)12(6)21-13(7)11(9)16;1-6-2-3-7-8-4-5-9(14(17,18)19)11(16)13(8)20-12(7)10(6)15;1-17-9-5-3-7-8-4-6-10(18-2)12(16)14(8)19-13(7)11(9)15;1-7-3-4-8-9-5-6-10(17-2)12(16)14(9)18-13(8)11(7)15;1-7-3-5-9-10-6-4-8(2)12(16)14(10)17-13(9)11(7)15;1-17-9-5-3-7-6-2-4-8(14)10(15)12(6)18-13(7)11(9)16;1-6-2-3-7-8-4-5-9(14)11(16)13(8)17-12(7)10(6)15/h6-7,9-10,12H,2-5,8H2,1H3;2-5H,1H3;2-5H,1H3;3-6H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;2-5H,1H3;2-5H,1H3.
What are the key properties of 4,6-difluoro-3,7-dimethoxydibenzofuran;4,6-difluoro-3,7-dimethyldibenzofuran;4,6-difluoro-3-methoxy-7-methyldibenzofuran;4,6-difluoro-3-methoxy-7-(trifluoromethyl)dibenzofuran;4,6-difluoro-3-methyl-7-(trifluoromethyl)dibenzofuran;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene;3,4,6-trifluoro-7-methoxydibenzofuran;3,4,6-trifluoro-7-methyldibenzofuran?
4,6-difluoro-3,7-dimethoxydibenzofuran;4,6-difluoro-3,7-dimethyldibenzofuran;4,6-difluoro-3-methoxy-7-methyldibenzofuran;4,6-difluoro-3-methoxy-7-(trifluoromethyl)dibenzofuran;4,6-difluoro-3-methyl-7-(trifluoromethyl)dibenzofuran;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene;3,4,6-trifluoro-7-methoxydibenzofuran;3,4,6-trifluoro-7-methyldibenzofuran has a molecular weight of 2107.78 g/mol, XLogP of 36.01, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-3,7-dimethoxydibenzofuran;4,6-difluoro-3,7-dimethyldibenzofuran;4,6-difluoro-3-methoxy-7-methyldibenzofuran;4,6-difluoro-3-methoxy-7-(trifluoromethyl)dibenzofuran;4,6-difluoro-3-methyl-7-(trifluoromethyl)dibenzofuran;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene;3,4,6-trifluoro-7-methoxydibenzofuran;3,4,6-trifluoro-7-methyldibenzofuran is sourced from PubChem (CID 159164429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).