2,2-difluoro-4-methyl-1,3-benzodioxole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;4-methyl-1H-indole;6-methyl-1H-indole;5-methyl-2-methylidene-1,3-dihydroindole

C143H148F7N7O15 — CID 158002314

IUPAC2,2-difluoro-4-methyl-1,3-benzodioxole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;4-methyl-1H-indole;6-methyl-1H-indole;5-methyl-2-methylidene-1,3-dihydroindole
SMILESC=C1Cc2cc(C)ccc2N1.Cc1ccc(F)c2c1CCO2.Cc1ccc(F)c2c1OCO2.Cc1ccc2c(c1)CCC2=O.Cc1ccc2c(c1)N(C)CC2.Cc1ccc2c(c1)NCC2.Cc1ccc2c(c1)OC(F)(F)O2.Cc1ccc2c(c1)OCO2.Cc1ccc2c(c1F)OCO2.Cc1ccc2cc[nH]c2c1.Cc1cccc2[nH]ccc12.Cc1cccc2c1CCN2C.Cc1cccc2c1CCO2.Cc1cccc2c1OC(F)(F)O2.Cc1cccc2c1OCO2.Cc1cccc2c1ccn2C
InChIInChI=1S/C10H11N.2C10H13N.C10H11N.C10H10O.C9H9FO.C9H11N.2C9H9N.C9H10O.2C8H6F2O2.2C8H7FO2.2C8H8O2/c1-7-3-4-10-9(5-7)6-8(2)11-10;1-8-3-4-9-5-6-11(2)10(9)7-8;2*1-8-4-3-5-10-9(8)6-7-11(10)2;1-7-2-4-9-8(6-7)3-5-10(9)11;1-6-2-3-8(10)9-7(6)4-5-11-9;2*1-7-2-3-8-4-5-10-9(8)6-7;2*1-7-3-2-4-9-8(7)5-6-10-9;1-5-2-3-6-7(4-5)12-8(9,10)11-6;1-5-3-2-4-6-7(5)12-8(9,10)11-6;1-5-2-3-6-8(7(5)9)11-4-10-6;1-5-2-3-6(9)8-7(5)10-4-11-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-3-2-4-7-8(6)10-5-9-7/h3-5,11H,2,6H2,1H3;3-4,7H,5-6H2,1-2H3;3-5H,6-7H2,1-2H3;3-7H,1-2H3;2,4,6H,3,5H2,1H3;2-3H,4-5H2,1H3;2-3,6,10H,4-5H2,1H3;2*2-6,10H,1H3;2-4H,5-6H2,1H3;2*2-4H,1H3;2*2-3H,4H2,1H3;2*2-4H,5H2,1H3
InChIKeyFDWMZIGIFYSHBC-UHFFFAOYSA-N
MW2337.78 g/mol
LogP33.78
Rot. Bonds

About 2,2-difluoro-4-methyl-1,3-benzodioxole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;4-methyl-1H-indole;6-methyl-1H-indole;5-methyl-2-methylidene-1,3-dihydroindole

2,2-difluoro-4-methyl-1,3-benzodioxole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;4-methyl-1H-indole;6-methyl-1H-indole;5-methyl-2-methylidene-1,3-dihydroindole (PubChem CID 158002314) has the molecular formula C143H148F7N7O15 and a molecular weight of 2337.78 g/mol. Its IUPAC name is 2,2-difluoro-4-methyl-1,3-benzodioxole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;4-methyl-1H-indole;6-methyl-1H-indole;5-methyl-2-methylidene-1,3-dihydroindole.

Molecular Properties

Compound Name2,2-difluoro-4-methyl-1,3-benzodioxole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;4-methyl-1H-indole;6-methyl-1H-indole;5-methyl-2-methylidene-1,3-dihydroindole
PubChem CID158002314
Molecular FormulaC143H148F7N7O15
Molecular Weight2337.78 g/mol
Exact Mass2336.09
IUPAC Name2,2-difluoro-4-methyl-1,3-benzodioxole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;4-methyl-1H-indole;6-methyl-1H-indole;5-methyl-2-methylidene-1,3-dihydroindole
SMILESC=C1Cc2cc(C)ccc2N1.Cc1ccc(F)c2c1CCO2.Cc1ccc(F)c2c1OCO2.Cc1ccc2c(c1)CCC2=O.Cc1ccc2c(c1)N(C)CC2.Cc1ccc2c(c1)NCC2.Cc1ccc2c(c1)OC(F)(F)O2.Cc1ccc2c(c1)OCO2.Cc1ccc2c(c1F)OCO2.Cc1ccc2cc[nH]c2c1.Cc1cccc2[nH]ccc12.Cc1cccc2c1CCN2C.Cc1cccc2c1CCO2.Cc1cccc2c1OC(F)(F)O2.Cc1cccc2c1OCO2.Cc1cccc2c1ccn2C
InChIInChI=1S/C10H11N.2C10H13N.C10H11N.C10H10O.C9H9FO.C9H11N.2C9H9N.C9H10O.2C8H6F2O2.2C8H7FO2.2C8H8O2/c1-7-3-4-10-9(5-7)6-8(2)11-10;1-8-3-4-9-5-6-11(2)10(9)7-8;2*1-8-4-3-5-10-9(8)6-7-11(10)2;1-7-2-4-9-8(6-7)3-5-10(9)11;1-6-2-3-8(10)9-7(6)4-5-11-9;2*1-7-2-3-8-4-5-10-9(8)6-7;2*1-7-3-2-4-9-8(7)5-6-10-9;1-5-2-3-6-7(4-5)12-8(9,10)11-6;1-5-3-2-4-6-7(5)12-8(9,10)11-6;1-5-2-3-6-8(7(5)9)11-4-10-6;1-5-2-3-6(9)8-7(5)10-4-11-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-3-2-4-7-8(6)10-5-9-7/h3-5,11H,2,6H2,1H3;3-4,7H,5-6H2,1-2H3;3-5H,6-7H2,1-2H3;3-7H,1-2H3;2,4,6H,3,5H2,1H3;2-3H,4-5H2,1H3;2-3,6,10H,4-5H2,1H3;2*2-6,10H,1H3;2-4H,5-6H2,1H3;2*2-4H,1H3;2*2-3H,4H2,1H3;2*2-4H,5H2,1H3
InChIKeyFDWMZIGIFYSHBC-UHFFFAOYSA-N
XLogP33.78
TPSA213.34 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002337.78
LogP ≤ 533.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 2,2-difluoro-4-methyl-1,3-benzodioxole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;4-methyl-1H-indole;6-methyl-1H-indole;5-methyl-2-methylidene-1,3-dihydroindole with MolForge

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Related Compounds

2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,4-dimethylindole;1,6-dimethyl-2H-indol-3-one;2-fluoro-2,4-dimethyl-1,3-benzodioxole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indene;5-methyl-2,3-dihydroinden-1-one;5-methyl-1,3-dihydroindol-2-one;6-methyl-1,2-dihydroindol-3-one;4-methyl-1H-indole
CID 157905003
1-(2-fluorophenyl)-4-(1H-indol-3-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methoxyphenyl)butane-1,4-dione;tris(1-(1H-indol-3-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(1H-indol-3-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indol-3-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione
CID 158063881
6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate
CID 158413089
2-(6-fluoro-1H-indol-3-yl)-N,N-bis[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1H-indol-3-yl)ethanamine;N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanimine;6-fluoro-3-[4-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]butyl]-1H-indole;1-methyl-3-(2,2,3,3-tetrafluoropropoxy)benzene;3-(2,2,3,3-tetrafluoropropoxy)benzaldehyde
CID 158444619
6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-5-(2-methoxyphenyl)-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate
CID 158714512
2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;2-fluoro-2,4-dimethyl-1,3-benzodioxole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;5-methyl-1,3-dihydroindol-2-one;6-methyl-1H-indene;4-methyl-1H-indole
CID 158928204
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,3-dihydroxypropyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2S)-2-hydroxybutyl]-6-methylindol-5-yl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-[2-tert-butyl-1-(2-hydroxyethyl)-6-methylindol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-1H-indol-5-yl)-1-[1-(4-methoxyphenyl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-2-(2-methylpentan-2-yl)-1H-indol-5-yl]ethanone
CID 159172678
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-phenylbutane-1,4-dione;1-(2-fluorophenyl)-4-(1H-indol-5-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(1H-indol-5-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(1H-indol-5-yl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indol-5-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione
CID 159623501
4-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene
CID 159644134
6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-5-(2-methoxyphenyl)-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate
CID 159782672
1-(1,3-benzodioxol-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1,3-benzodioxol-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-5-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-5-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indol-5-yl)butane-1,4-dione
CID 160049069
6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-5-(2-methoxyphenyl)-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate
CID 160272109

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4-methyl-1,3-benzodioxole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;4-methyl-1H-indole;6-methyl-1H-indole;5-methyl-2-methylidene-1,3-dihydroindole?
The IUPAC name of 2,2-difluoro-4-methyl-1,3-benzodioxole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;4-methyl-1H-indole;6-methyl-1H-indole;5-methyl-2-methylidene-1,3-dihydroindole (CID 158002314) is 2,2-difluoro-4-methyl-1,3-benzodioxole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;4-methyl-1H-indole;6-methyl-1H-indole;5-methyl-2-methylidene-1,3-dihydroindole.
What is the SMILES notation for 2,2-difluoro-4-methyl-1,3-benzodioxole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;4-methyl-1H-indole;6-methyl-1H-indole;5-methyl-2-methylidene-1,3-dihydroindole?
The canonical SMILES for 2,2-difluoro-4-methyl-1,3-benzodioxole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;4-methyl-1H-indole;6-methyl-1H-indole;5-methyl-2-methylidene-1,3-dihydroindole is C=C1Cc2cc(C)ccc2N1.Cc1ccc(F)c2c1CCO2.Cc1ccc(F)c2c1OCO2.Cc1ccc2c(c1)CCC2=O.Cc1ccc2c(c1)N(C)CC2.Cc1ccc2c(c1)NCC2.Cc1ccc2c(c1)OC(F)(F)O2.Cc1ccc2c(c1)OCO2.Cc1ccc2c(c1F)OCO2.Cc1ccc2cc[nH]c2c1.Cc1cccc2[nH]ccc12.Cc1cccc2c1CCN2C.Cc1cccc2c1CCO2.Cc1cccc2c1OC(F)(F)O2.Cc1cccc2c1OCO2.Cc1cccc2c1ccn2C.
What is the InChIKey of 2,2-difluoro-4-methyl-1,3-benzodioxole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;4-methyl-1H-indole;6-methyl-1H-indole;5-methyl-2-methylidene-1,3-dihydroindole?
The InChIKey is FDWMZIGIFYSHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.2C10H13N.C10H11N.C10H10O.C9H9FO.C9H11N.2C9H9N.C9H10O.2C8H6F2O2.2C8H7FO2.2C8H8O2/c1-7-3-4-10-9(5-7)6-8(2)11-10;1-8-3-4-9-5-6-11(2)10(9)7-8;2*1-8-4-3-5-10-9(8)6-7-11(10)2;1-7-2-4-9-8(6-7)3-5-10(9)11;1-6-2-3-8(10)9-7(6)4-5-11-9;2*1-7-2-3-8-4-5-10-9(8)6-7;2*1-7-3-2-4-9-8(7)5-6-10-9;1-5-2-3-6-7(4-5)12-8(9,10)11-6;1-5-3-2-4-6-7(5)12-8(9,10)11-6;1-5-2-3-6-8(7(5)9)11-4-10-6;1-5-2-3-6(9)8-7(5)10-4-11-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-3-2-4-7-8(6)10-5-9-7/h3-5,11H,2,6H2,1H3;3-4,7H,5-6H2,1-2H3;3-5H,6-7H2,1-2H3;3-7H,1-2H3;2,4,6H,3,5H2,1H3;2-3H,4-5H2,1H3;2-3,6,10H,4-5H2,1H3;2*2-6,10H,1H3;2-4H,5-6H2,1H3;2*2-4H,1H3;2*2-3H,4H2,1H3;2*2-4H,5H2,1H3.
What are the key properties of 2,2-difluoro-4-methyl-1,3-benzodioxole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;4-methyl-1H-indole;6-methyl-1H-indole;5-methyl-2-methylidene-1,3-dihydroindole?
2,2-difluoro-4-methyl-1,3-benzodioxole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;4-methyl-1H-indole;6-methyl-1H-indole;5-methyl-2-methylidene-1,3-dihydroindole has a molecular weight of 2337.78 g/mol, XLogP of 33.78, 0 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-methyl-1,3-benzodioxole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;4-methyl-1H-indole;6-methyl-1H-indole;5-methyl-2-methylidene-1,3-dihydroindole is sourced from PubChem (CID 158002314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).