2,2-difluoro-5-methyl-1,3-benzodioxole;ethane;5-methyl-1,3-benzodioxole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;6-methyl-4H-1,4-benzoxazin-3-one;7-methyl-4H-1,4-benzoxazin-3-one;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methyl-2H-chromene;7-methyl-2H-chromene;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-1,4-benzoxazin-2-one;7-methyl-3,4-dihydro-1,4-benzoxazin-2-one;6-methyl-3,4-dihydro-2H-chromene;7-methyl-3,4-dihydro-2H-chromene;1-methylnaphthalene;2-methylnaphthalene;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2,2,3,3-tetrafluoro-6-methyl-1,4-benzodioxine

C268H358F6N12O25S2 — CID 161427636

IUPAC2,2-difluoro-5-methyl-1,3-benzodioxole;ethane;5-methyl-1,3-benzodioxole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;6-methyl-4H-1,4-benzoxazin-3-one;7-methyl-4H-1,4-benzoxazin-3-one;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methyl-2H-chromene;7-methyl-2H-chromene;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-1,4-benzoxazin-2-one;7-methyl-3,4-dihydro-1,4-benzoxazin-2-one;6-methyl-3,4-dihydro-2H-chromene;7-methyl-3,4-dihydro-2H-chromene;1-methylnaphthalene;2-methylnaphthalene;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2,2,3,3-tetrafluoro-6-methyl-1,4-benzodioxine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)C=CCO2.Cc1ccc2c(c1)CCCO2.Cc1ccc2c(c1)CCO2.Cc1ccc2c(c1)COC2.Cc1ccc2c(c1)NC(=O)CO2.Cc1ccc2c(c1)NCC(=O)O2.Cc1ccc2c(c1)OC(=O)CN2.Cc1ccc2c(c1)OC(F)(F)C(F)(F)O2.Cc1ccc2c(c1)OC(F)(F)O2.Cc1ccc2c(c1)OCC(=O)N2.Cc1ccc2c(c1)OCC2.Cc1ccc2c(c1)OCC=C2.Cc1ccc2c(c1)OCCC2.Cc1ccc2c(c1)OCCO2.Cc1ccc2c(c1)OCO2.Cc1ccc2ccccc2c1.Cc1ccc2cccnc2c1.Cc1ccc2ncccc2c1.Cc1ccc2nccnc2c1.Cc1ccc2ncoc2c1.Cc1ccc2ncsc2c1.Cc1ccc2ocnc2c1.Cc1ccc2scnc2c1.Cc1cccc2ccccc12
InChIInChI=1S/2C11H10.2C10H9N.C10H12O.C10H10O.C10H12O.C10H10O.C9H6F4O2.C9H8N2.4C9H9NO2.C9H10O2.3C9H10O.C8H6F2O2.2C8H7NO.2C8H7NS.C8H8O2.24C2H6/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-4-5-9-3-2-6-11-10(9)7-8;2*1-8-4-5-10-9(7-8)3-2-6-11-10;2*1-8-4-5-9-3-2-6-11-10(9)7-8;1-5-2-3-6-7(4-5)15-9(12,13)8(10,11)14-6;1-7-2-3-8-9(6-7)11-5-4-10-8;1-6-2-3-8-7(4-6)10-9(11)5-12-8;1-6-2-3-8-7(4-6)10-5-9(11)12-8;1-6-2-3-7-8(4-6)12-5-9(11)10-7;1-6-2-3-7-8(4-6)12-9(11)5-10-7;1-7-2-3-8-9(6-7)11-5-4-10-8;1-7-2-3-8-5-10-6-9(8)4-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-5-2-3-6-7(4-5)12-8(9,10)11-6;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-8-7(4-6)9-5-10-8;2*1-6-2-3-7-8(4-6)10-5-9-7;24*1-2/h2*2-8H,1H3;2*2-7H,1H3;4-5,7H,2-3,6H2,1H3;2-5,7H,6H2,1H3;4-5,7H,2-3,6H2,1H3;2-5,7H,6H2,1H3;2-4H,1H3;2-6H,1H3;2-4H,5H2,1H3,(H,10,11);2-4,10H,5H2,1H3;2-4H,5H2,1H3,(H,10,11);2-4,10H,5H2,1H3;2-3,6H,4-5H2,1H3;2-4H,5-6H2,1H3;2*2-3,6H,4-5H2,1H3;2-4H,1H3;4*2-5H,1H3;2-4H,5H2,1H3;24*1-2H3
InChIKeyVXORHBQHKDQJPI-UHFFFAOYSA-N
MW4325.99 g/mol
LogP76.82
Rot. Bonds

About 2,2-difluoro-5-methyl-1,3-benzodioxole;ethane;5-methyl-1,3-benzodioxole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;6-methyl-4H-1,4-benzoxazin-3-one;7-methyl-4H-1,4-benzoxazin-3-one;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methyl-2H-chromene;7-methyl-2H-chromene;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-1,4-benzoxazin-2-one;7-methyl-3,4-dihydro-1,4-benzoxazin-2-one;6-methyl-3,4-dihydro-2H-chromene;7-methyl-3,4-dihydro-2H-chromene;1-methylnaphthalene;2-methylnaphthalene;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2,2,3,3-tetrafluoro-6-methyl-1,4-benzodioxine

2,2-difluoro-5-methyl-1,3-benzodioxole;ethane;5-methyl-1,3-benzodioxole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;6-methyl-4H-1,4-benzoxazin-3-one;7-methyl-4H-1,4-benzoxazin-3-one;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methyl-2H-chromene;7-methyl-2H-chromene;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-1,4-benzoxazin-2-one;7-methyl-3,4-dihydro-1,4-benzoxazin-2-one;6-methyl-3,4-dihydro-2H-chromene;7-methyl-3,4-dihydro-2H-chromene;1-methylnaphthalene;2-methylnaphthalene;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2,2,3,3-tetrafluoro-6-methyl-1,4-benzodioxine (PubChem CID 161427636) has the molecular formula C268H358F6N12O25S2 and a molecular weight of 4325.99 g/mol. Its IUPAC name is 2,2-difluoro-5-methyl-1,3-benzodioxole;ethane;5-methyl-1,3-benzodioxole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;6-methyl-4H-1,4-benzoxazin-3-one;7-methyl-4H-1,4-benzoxazin-3-one;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methyl-2H-chromene;7-methyl-2H-chromene;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-1,4-benzoxazin-2-one;7-methyl-3,4-dihydro-1,4-benzoxazin-2-one;6-methyl-3,4-dihydro-2H-chromene;7-methyl-3,4-dihydro-2H-chromene;1-methylnaphthalene;2-methylnaphthalene;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2,2,3,3-tetrafluoro-6-methyl-1,4-benzodioxine.

Molecular Properties

Compound Name2,2-difluoro-5-methyl-1,3-benzodioxole;ethane;5-methyl-1,3-benzodioxole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;6-methyl-4H-1,4-benzoxazin-3-one;7-methyl-4H-1,4-benzoxazin-3-one;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methyl-2H-chromene;7-methyl-2H-chromene;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-1,4-benzoxazin-2-one;7-methyl-3,4-dihydro-1,4-benzoxazin-2-one;6-methyl-3,4-dihydro-2H-chromene;7-methyl-3,4-dihydro-2H-chromene;1-methylnaphthalene;2-methylnaphthalene;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2,2,3,3-tetrafluoro-6-methyl-1,4-benzodioxine
PubChem CID161427636
Molecular FormulaC268H358F6N12O25S2
Molecular Weight4325.99 g/mol
Exact Mass4322.65
IUPAC Name2,2-difluoro-5-methyl-1,3-benzodioxole;ethane;5-methyl-1,3-benzodioxole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;6-methyl-4H-1,4-benzoxazin-3-one;7-methyl-4H-1,4-benzoxazin-3-one;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methyl-2H-chromene;7-methyl-2H-chromene;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-1,4-benzoxazin-2-one;7-methyl-3,4-dihydro-1,4-benzoxazin-2-one;6-methyl-3,4-dihydro-2H-chromene;7-methyl-3,4-dihydro-2H-chromene;1-methylnaphthalene;2-methylnaphthalene;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2,2,3,3-tetrafluoro-6-methyl-1,4-benzodioxine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)C=CCO2.Cc1ccc2c(c1)CCCO2.Cc1ccc2c(c1)CCO2.Cc1ccc2c(c1)COC2.Cc1ccc2c(c1)NC(=O)CO2.Cc1ccc2c(c1)NCC(=O)O2.Cc1ccc2c(c1)OC(=O)CN2.Cc1ccc2c(c1)OC(F)(F)C(F)(F)O2.Cc1ccc2c(c1)OC(F)(F)O2.Cc1ccc2c(c1)OCC(=O)N2.Cc1ccc2c(c1)OCC2.Cc1ccc2c(c1)OCC=C2.Cc1ccc2c(c1)OCCC2.Cc1ccc2c(c1)OCCO2.Cc1ccc2c(c1)OCO2.Cc1ccc2ccccc2c1.Cc1ccc2cccnc2c1.Cc1ccc2ncccc2c1.Cc1ccc2nccnc2c1.Cc1ccc2ncoc2c1.Cc1ccc2ncsc2c1.Cc1ccc2ocnc2c1.Cc1ccc2scnc2c1.Cc1cccc2ccccc12
InChIInChI=1S/2C11H10.2C10H9N.C10H12O.C10H10O.C10H12O.C10H10O.C9H6F4O2.C9H8N2.4C9H9NO2.C9H10O2.3C9H10O.C8H6F2O2.2C8H7NO.2C8H7NS.C8H8O2.24C2H6/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-4-5-9-3-2-6-11-10(9)7-8;2*1-8-4-5-10-9(7-8)3-2-6-11-10;2*1-8-4-5-9-3-2-6-11-10(9)7-8;1-5-2-3-6-7(4-5)15-9(12,13)8(10,11)14-6;1-7-2-3-8-9(6-7)11-5-4-10-8;1-6-2-3-8-7(4-6)10-9(11)5-12-8;1-6-2-3-8-7(4-6)10-5-9(11)12-8;1-6-2-3-7-8(4-6)12-5-9(11)10-7;1-6-2-3-7-8(4-6)12-9(11)5-10-7;1-7-2-3-8-9(6-7)11-5-4-10-8;1-7-2-3-8-5-10-6-9(8)4-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-5-2-3-6-7(4-5)12-8(9,10)11-6;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-8-7(4-6)9-5-10-8;2*1-6-2-3-7-8(4-6)10-5-9-7;24*1-2/h2*2-8H,1H3;2*2-7H,1H3;4-5,7H,2-3,6H2,1H3;2-5,7H,6H2,1H3;4-5,7H,2-3,6H2,1H3;2-5,7H,6H2,1H3;2-4H,1H3;2-6H,1H3;2-4H,5H2,1H3,(H,10,11);2-4,10H,5H2,1H3;2-4H,5H2,1H3,(H,10,11);2-4,10H,5H2,1H3;2-3,6H,4-5H2,1H3;2-4H,5-6H2,1H3;2*2-3,6H,4-5H2,1H3;2-4H,1H3;4*2-5H,1H3;2-4H,5H2,1H3;24*1-2H3
InChIKeyVXORHBQHKDQJPI-UHFFFAOYSA-N
XLogP76.82
TPSA421.17 Ų
H-Bond Donors4
H-Bond Acceptors37
Rotatable Bonds
Heavy Atoms313
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004325.99
LogP ≤ 576.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1037

Analyze 2,2-difluoro-5-methyl-1,3-benzodioxole;ethane;5-methyl-1,3-benzodioxole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;6-methyl-4H-1,4-benzoxazin-3-one;7-methyl-4H-1,4-benzoxazin-3-one;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methyl-2H-chromene;7-methyl-2H-chromene;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-1,4-benzoxazin-2-one;7-methyl-3,4-dihydro-1,4-benzoxazin-2-one;6-methyl-3,4-dihydro-2H-chromene;7-methyl-3,4-dihydro-2H-chromene;1-methylnaphthalene;2-methylnaphthalene;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2,2,3,3-tetrafluoro-6-methyl-1,4-benzodioxine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-methyl-1,3-benzodioxole;ethane;5-methyl-1,3-benzodioxole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;6-methyl-4H-1,4-benzoxazin-3-one;7-methyl-4H-1,4-benzoxazin-3-one;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methyl-2H-chromene;7-methyl-2H-chromene;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-1,4-benzoxazin-2-one;7-methyl-3,4-dihydro-1,4-benzoxazin-2-one;6-methyl-3,4-dihydro-2H-chromene;7-methyl-3,4-dihydro-2H-chromene;1-methylnaphthalene;2-methylnaphthalene;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2,2,3,3-tetrafluoro-6-methyl-1,4-benzodioxine?
The IUPAC name of 2,2-difluoro-5-methyl-1,3-benzodioxole;ethane;5-methyl-1,3-benzodioxole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;6-methyl-4H-1,4-benzoxazin-3-one;7-methyl-4H-1,4-benzoxazin-3-one;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methyl-2H-chromene;7-methyl-2H-chromene;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-1,4-benzoxazin-2-one;7-methyl-3,4-dihydro-1,4-benzoxazin-2-one;6-methyl-3,4-dihydro-2H-chromene;7-methyl-3,4-dihydro-2H-chromene;1-methylnaphthalene;2-methylnaphthalene;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2,2,3,3-tetrafluoro-6-methyl-1,4-benzodioxine (CID 161427636) is 2,2-difluoro-5-methyl-1,3-benzodioxole;ethane;5-methyl-1,3-benzodioxole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;6-methyl-4H-1,4-benzoxazin-3-one;7-methyl-4H-1,4-benzoxazin-3-one;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methyl-2H-chromene;7-methyl-2H-chromene;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-1,4-benzoxazin-2-one;7-methyl-3,4-dihydro-1,4-benzoxazin-2-one;6-methyl-3,4-dihydro-2H-chromene;7-methyl-3,4-dihydro-2H-chromene;1-methylnaphthalene;2-methylnaphthalene;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2,2,3,3-tetrafluoro-6-methyl-1,4-benzodioxine.
What is the SMILES notation for 2,2-difluoro-5-methyl-1,3-benzodioxole;ethane;5-methyl-1,3-benzodioxole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;6-methyl-4H-1,4-benzoxazin-3-one;7-methyl-4H-1,4-benzoxazin-3-one;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methyl-2H-chromene;7-methyl-2H-chromene;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-1,4-benzoxazin-2-one;7-methyl-3,4-dihydro-1,4-benzoxazin-2-one;6-methyl-3,4-dihydro-2H-chromene;7-methyl-3,4-dihydro-2H-chromene;1-methylnaphthalene;2-methylnaphthalene;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2,2,3,3-tetrafluoro-6-methyl-1,4-benzodioxine?
The canonical SMILES for 2,2-difluoro-5-methyl-1,3-benzodioxole;ethane;5-methyl-1,3-benzodioxole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;6-methyl-4H-1,4-benzoxazin-3-one;7-methyl-4H-1,4-benzoxazin-3-one;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methyl-2H-chromene;7-methyl-2H-chromene;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-1,4-benzoxazin-2-one;7-methyl-3,4-dihydro-1,4-benzoxazin-2-one;6-methyl-3,4-dihydro-2H-chromene;7-methyl-3,4-dihydro-2H-chromene;1-methylnaphthalene;2-methylnaphthalene;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2,2,3,3-tetrafluoro-6-methyl-1,4-benzodioxine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)C=CCO2.Cc1ccc2c(c1)CCCO2.Cc1ccc2c(c1)CCO2.Cc1ccc2c(c1)COC2.Cc1ccc2c(c1)NC(=O)CO2.Cc1ccc2c(c1)NCC(=O)O2.Cc1ccc2c(c1)OC(=O)CN2.Cc1ccc2c(c1)OC(F)(F)C(F)(F)O2.Cc1ccc2c(c1)OC(F)(F)O2.Cc1ccc2c(c1)OCC(=O)N2.Cc1ccc2c(c1)OCC2.Cc1ccc2c(c1)OCC=C2.Cc1ccc2c(c1)OCCC2.Cc1ccc2c(c1)OCCO2.Cc1ccc2c(c1)OCO2.Cc1ccc2ccccc2c1.Cc1ccc2cccnc2c1.Cc1ccc2ncccc2c1.Cc1ccc2nccnc2c1.Cc1ccc2ncoc2c1.Cc1ccc2ncsc2c1.Cc1ccc2ocnc2c1.Cc1ccc2scnc2c1.Cc1cccc2ccccc12.
What is the InChIKey of 2,2-difluoro-5-methyl-1,3-benzodioxole;ethane;5-methyl-1,3-benzodioxole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;6-methyl-4H-1,4-benzoxazin-3-one;7-methyl-4H-1,4-benzoxazin-3-one;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methyl-2H-chromene;7-methyl-2H-chromene;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-1,4-benzoxazin-2-one;7-methyl-3,4-dihydro-1,4-benzoxazin-2-one;6-methyl-3,4-dihydro-2H-chromene;7-methyl-3,4-dihydro-2H-chromene;1-methylnaphthalene;2-methylnaphthalene;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2,2,3,3-tetrafluoro-6-methyl-1,4-benzodioxine?
The InChIKey is VXORHBQHKDQJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H10.2C10H9N.C10H12O.C10H10O.C10H12O.C10H10O.C9H6F4O2.C9H8N2.4C9H9NO2.C9H10O2.3C9H10O.C8H6F2O2.2C8H7NO.2C8H7NS.C8H8O2.24C2H6/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-4-5-9-3-2-6-11-10(9)7-8;2*1-8-4-5-10-9(7-8)3-2-6-11-10;2*1-8-4-5-9-3-2-6-11-10(9)7-8;1-5-2-3-6-7(4-5)15-9(12,13)8(10,11)14-6;1-7-2-3-8-9(6-7)11-5-4-10-8;1-6-2-3-8-7(4-6)10-9(11)5-12-8;1-6-2-3-8-7(4-6)10-5-9(11)12-8;1-6-2-3-7-8(4-6)12-5-9(11)10-7;1-6-2-3-7-8(4-6)12-9(11)5-10-7;1-7-2-3-8-9(6-7)11-5-4-10-8;1-7-2-3-8-5-10-6-9(8)4-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-5-2-3-6-7(4-5)12-8(9,10)11-6;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-8-7(4-6)9-5-10-8;2*1-6-2-3-7-8(4-6)10-5-9-7;24*1-2/h2*2-8H,1H3;2*2-7H,1H3;4-5,7H,2-3,6H2,1H3;2-5,7H,6H2,1H3;4-5,7H,2-3,6H2,1H3;2-5,7H,6H2,1H3;2-4H,1H3;2-6H,1H3;2-4H,5H2,1H3,(H,10,11);2-4,10H,5H2,1H3;2-4H,5H2,1H3,(H,10,11);2-4,10H,5H2,1H3;2-3,6H,4-5H2,1H3;2-4H,5-6H2,1H3;2*2-3,6H,4-5H2,1H3;2-4H,1H3;4*2-5H,1H3;2-4H,5H2,1H3;24*1-2H3.
What are the key properties of 2,2-difluoro-5-methyl-1,3-benzodioxole;ethane;5-methyl-1,3-benzodioxole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;6-methyl-4H-1,4-benzoxazin-3-one;7-methyl-4H-1,4-benzoxazin-3-one;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methyl-2H-chromene;7-methyl-2H-chromene;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-1,4-benzoxazin-2-one;7-methyl-3,4-dihydro-1,4-benzoxazin-2-one;6-methyl-3,4-dihydro-2H-chromene;7-methyl-3,4-dihydro-2H-chromene;1-methylnaphthalene;2-methylnaphthalene;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2,2,3,3-tetrafluoro-6-methyl-1,4-benzodioxine?
2,2-difluoro-5-methyl-1,3-benzodioxole;ethane;5-methyl-1,3-benzodioxole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;6-methyl-4H-1,4-benzoxazin-3-one;7-methyl-4H-1,4-benzoxazin-3-one;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methyl-2H-chromene;7-methyl-2H-chromene;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-1,4-benzoxazin-2-one;7-methyl-3,4-dihydro-1,4-benzoxazin-2-one;6-methyl-3,4-dihydro-2H-chromene;7-methyl-3,4-dihydro-2H-chromene;1-methylnaphthalene;2-methylnaphthalene;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2,2,3,3-tetrafluoro-6-methyl-1,4-benzodioxine has a molecular weight of 4325.99 g/mol, XLogP of 76.82, 0 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-methyl-1,3-benzodioxole;ethane;5-methyl-1,3-benzodioxole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;6-methyl-4H-1,4-benzoxazin-3-one;7-methyl-4H-1,4-benzoxazin-3-one;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methyl-2H-chromene;7-methyl-2H-chromene;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-1,4-benzoxazin-2-one;7-methyl-3,4-dihydro-1,4-benzoxazin-2-one;6-methyl-3,4-dihydro-2H-chromene;7-methyl-3,4-dihydro-2H-chromene;1-methylnaphthalene;2-methylnaphthalene;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2,2,3,3-tetrafluoro-6-methyl-1,4-benzodioxine is sourced from PubChem (CID 161427636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).