2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;5-(2-methylpropyl)-2,3-dihydro-1H-indene;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;7-(2-methylpropyl)-2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline

C159H217F5N8O17S2 — CID 158038979

IUPAC2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;5-(2-methylpropyl)-2,3-dihydro-1H-indene;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;7-(2-methylpropyl)-2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline
SMILESCC(=O)N1CCc2ccc(CC(C)C)cc2C1.CC(C)Cc1ccc2c(c1)CC(C)(C)O2.CC(C)Cc1ccc2c(c1)CCC2.CC(C)Cc1ccc2c(c1)CCO2.CC(C)Cc1ccc2c(c1)CN(C(N)=O)CC2.CC(C)Cc1ccc2c(c1)CN(S(=O)(=O)C(F)(F)F)CC2.CC(C)Cc1ccc2c(c1)CN(S(C)(=O)=O)CC2.CC(C)Cc1ccc2c(c1)OC(F)(F)O2.CC(C)Cc1ccc2c(c1)OCC(C)(C)O2.CC(C)Cc1ccc2c(c1)OCO2.CC(C)Cc1ccc2oc(=O)n(C)c2c1.CNC(=O)N1CCc2ccc(CC(C)C)cc2C1
InChIInChI=1S/C15H22N2O.C15H21NO.C14H18F3NO2S.C14H20N2O.C14H21NO2S.C14H20O2.C14H20O.C13H18.C12H15NO2.C12H16O.C11H12F2O2.C11H14O2/c1-11(2)8-12-4-5-13-6-7-17(15(18)16-3)10-14(13)9-12;1-11(2)8-13-4-5-14-6-7-16(12(3)17)10-15(14)9-13;1-10(2)7-11-3-4-12-5-6-18(9-13(12)8-11)21(19,20)14(15,16)17;1-10(2)7-11-3-4-12-5-6-16(14(15)17)9-13(12)8-11;1-11(2)8-12-4-5-13-6-7-15(18(3,16)17)10-14(13)9-12;1-10(2)7-11-5-6-12-13(8-11)15-9-14(3,4)16-12;1-10(2)7-11-5-6-13-12(8-11)9-14(3,4)15-13;1-10(2)8-11-6-7-12-4-3-5-13(12)9-11;1-8(2)6-9-4-5-11-10(7-9)13(3)12(14)15-11;1-9(2)7-10-3-4-12-11(8-10)5-6-13-12;1-7(2)5-8-3-4-9-10(6-8)15-11(12,13)14-9;1-8(2)5-9-3-4-10-11(6-9)13-7-12-10/h4-5,9,11H,6-8,10H2,1-3H3,(H,16,18);4-5,9,11H,6-8,10H2,1-3H3;3-4,8,10H,5-7,9H2,1-2H3;3-4,8,10H,5-7,9H2,1-2H3,(H2,15,17);4-5,9,11H,6-8,10H2,1-3H3;5-6,8,10H,7,9H2,1-4H3;5-6,8,10H,7,9H2,1-4H3;6-7,9-10H,3-5,8H2,1-2H3;4-5,7-8H,6H2,1-3H3;3-4,8-9H,5-7H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-4,6,8H,5,7H2,1-2H3
InChIKeyFICRBEBVQRSBBC-UHFFFAOYSA-N
MW2671.65 g/mol
LogP34.37
Rot. Bonds26

About 2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;5-(2-methylpropyl)-2,3-dihydro-1H-indene;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;7-(2-methylpropyl)-2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline

2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;5-(2-methylpropyl)-2,3-dihydro-1H-indene;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;7-(2-methylpropyl)-2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 158038979) has the molecular formula C159H217F5N8O17S2 and a molecular weight of 2671.65 g/mol. Its IUPAC name is 2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;5-(2-methylpropyl)-2,3-dihydro-1H-indene;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;7-(2-methylpropyl)-2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;5-(2-methylpropyl)-2,3-dihydro-1H-indene;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;7-(2-methylpropyl)-2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline
PubChem CID158038979
Molecular FormulaC159H217F5N8O17S2
Molecular Weight2671.65 g/mol
Exact Mass2669.57
IUPAC Name2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;5-(2-methylpropyl)-2,3-dihydro-1H-indene;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;7-(2-methylpropyl)-2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline
SMILESCC(=O)N1CCc2ccc(CC(C)C)cc2C1.CC(C)Cc1ccc2c(c1)CC(C)(C)O2.CC(C)Cc1ccc2c(c1)CCC2.CC(C)Cc1ccc2c(c1)CCO2.CC(C)Cc1ccc2c(c1)CN(C(N)=O)CC2.CC(C)Cc1ccc2c(c1)CN(S(=O)(=O)C(F)(F)F)CC2.CC(C)Cc1ccc2c(c1)CN(S(C)(=O)=O)CC2.CC(C)Cc1ccc2c(c1)OC(F)(F)O2.CC(C)Cc1ccc2c(c1)OCC(C)(C)O2.CC(C)Cc1ccc2c(c1)OCO2.CC(C)Cc1ccc2oc(=O)n(C)c2c1.CNC(=O)N1CCc2ccc(CC(C)C)cc2C1
InChIInChI=1S/C15H22N2O.C15H21NO.C14H18F3NO2S.C14H20N2O.C14H21NO2S.C14H20O2.C14H20O.C13H18.C12H15NO2.C12H16O.C11H12F2O2.C11H14O2/c1-11(2)8-12-4-5-13-6-7-17(15(18)16-3)10-14(13)9-12;1-11(2)8-13-4-5-14-6-7-16(12(3)17)10-15(14)9-13;1-10(2)7-11-3-4-12-5-6-18(9-13(12)8-11)21(19,20)14(15,16)17;1-10(2)7-11-3-4-12-5-6-16(14(15)17)9-13(12)8-11;1-11(2)8-12-4-5-13-6-7-15(18(3,16)17)10-14(13)9-12;1-10(2)7-11-5-6-12-13(8-11)15-9-14(3,4)16-12;1-10(2)7-11-5-6-13-12(8-11)9-14(3,4)15-13;1-10(2)8-11-6-7-12-4-3-5-13(12)9-11;1-8(2)6-9-4-5-11-10(7-9)13(3)12(14)15-11;1-9(2)7-10-3-4-12-11(8-10)5-6-13-12;1-7(2)5-8-3-4-9-10(6-8)15-11(12,13)14-9;1-8(2)5-9-3-4-10-11(6-9)13-7-12-10/h4-5,9,11H,6-8,10H2,1-3H3,(H,16,18);4-5,9,11H,6-8,10H2,1-3H3;3-4,8,10H,5-7,9H2,1-2H3;3-4,8,10H,5-7,9H2,1-2H3,(H2,15,17);4-5,9,11H,6-8,10H2,1-3H3;5-6,8,10H,7,9H2,1-4H3;5-6,8,10H,7,9H2,1-4H3;6-7,9-10H,3-5,8H2,1-2H3;4-5,7-8H,6H2,1-3H3;3-4,8-9H,5-7H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-4,6,8H,5,7H2,1-2H3
InChIKeyFICRBEBVQRSBBC-UHFFFAOYSA-N
XLogP34.37
TPSA282.72 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds26
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002671.65
LogP ≤ 534.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze 2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;5-(2-methylpropyl)-2,3-dihydro-1H-indene;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;7-(2-methylpropyl)-2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;5-(2-methylpropyl)-2,3-dihydro-1H-indene;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;7-(2-methylpropyl)-2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;5-(2-methylpropyl)-2,3-dihydro-1H-indene;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;7-(2-methylpropyl)-2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline (CID 158038979) is 2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;5-(2-methylpropyl)-2,3-dihydro-1H-indene;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;7-(2-methylpropyl)-2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;5-(2-methylpropyl)-2,3-dihydro-1H-indene;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;7-(2-methylpropyl)-2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;5-(2-methylpropyl)-2,3-dihydro-1H-indene;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;7-(2-methylpropyl)-2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline is CC(=O)N1CCc2ccc(CC(C)C)cc2C1.CC(C)Cc1ccc2c(c1)CC(C)(C)O2.CC(C)Cc1ccc2c(c1)CCC2.CC(C)Cc1ccc2c(c1)CCO2.CC(C)Cc1ccc2c(c1)CN(C(N)=O)CC2.CC(C)Cc1ccc2c(c1)CN(S(=O)(=O)C(F)(F)F)CC2.CC(C)Cc1ccc2c(c1)CN(S(C)(=O)=O)CC2.CC(C)Cc1ccc2c(c1)OC(F)(F)O2.CC(C)Cc1ccc2c(c1)OCC(C)(C)O2.CC(C)Cc1ccc2c(c1)OCO2.CC(C)Cc1ccc2oc(=O)n(C)c2c1.CNC(=O)N1CCc2ccc(CC(C)C)cc2C1.
What is the InChIKey of 2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;5-(2-methylpropyl)-2,3-dihydro-1H-indene;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;7-(2-methylpropyl)-2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is FICRBEBVQRSBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.C15H21NO.C14H18F3NO2S.C14H20N2O.C14H21NO2S.C14H20O2.C14H20O.C13H18.C12H15NO2.C12H16O.C11H12F2O2.C11H14O2/c1-11(2)8-12-4-5-13-6-7-17(15(18)16-3)10-14(13)9-12;1-11(2)8-13-4-5-14-6-7-16(12(3)17)10-15(14)9-13;1-10(2)7-11-3-4-12-5-6-18(9-13(12)8-11)21(19,20)14(15,16)17;1-10(2)7-11-3-4-12-5-6-16(14(15)17)9-13(12)8-11;1-11(2)8-12-4-5-13-6-7-15(18(3,16)17)10-14(13)9-12;1-10(2)7-11-5-6-12-13(8-11)15-9-14(3,4)16-12;1-10(2)7-11-5-6-13-12(8-11)9-14(3,4)15-13;1-10(2)8-11-6-7-12-4-3-5-13(12)9-11;1-8(2)6-9-4-5-11-10(7-9)13(3)12(14)15-11;1-9(2)7-10-3-4-12-11(8-10)5-6-13-12;1-7(2)5-8-3-4-9-10(6-8)15-11(12,13)14-9;1-8(2)5-9-3-4-10-11(6-9)13-7-12-10/h4-5,9,11H,6-8,10H2,1-3H3,(H,16,18);4-5,9,11H,6-8,10H2,1-3H3;3-4,8,10H,5-7,9H2,1-2H3;3-4,8,10H,5-7,9H2,1-2H3,(H2,15,17);4-5,9,11H,6-8,10H2,1-3H3;5-6,8,10H,7,9H2,1-4H3;5-6,8,10H,7,9H2,1-4H3;6-7,9-10H,3-5,8H2,1-2H3;4-5,7-8H,6H2,1-3H3;3-4,8-9H,5-7H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-4,6,8H,5,7H2,1-2H3.
What are the key properties of 2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;5-(2-methylpropyl)-2,3-dihydro-1H-indene;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;7-(2-methylpropyl)-2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline?
2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;5-(2-methylpropyl)-2,3-dihydro-1H-indene;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;7-(2-methylpropyl)-2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 2671.65 g/mol, XLogP of 34.37, 26 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;5-(2-methylpropyl)-2,3-dihydro-1H-indene;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;7-(2-methylpropyl)-2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 158038979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).