1-tert-butyl-3-chlorobenzene;2-tert-butyl-6-chloro-1-benzofuran;3-tert-butyl-5-chloro-6-fluoro-1-methylindole;3-tert-butyl-5-chloro-4-fluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-chloro-1-methylbenzene;3-tert-butyl-5-chloro-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-4,5-difluoro-1-methylindole;3-tert-butyl-5,6-difluoro-1-methylindole;3-tert-butyl-4,5-difluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-tert-butyl-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;methane

C182H254Cl6F15N15O — CID 158062879

IUPAC1-tert-butyl-3-chlorobenzene;2-tert-butyl-6-chloro-1-benzofuran;3-tert-butyl-5-chloro-6-fluoro-1-methylindole;3-tert-butyl-5-chloro-4-fluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-chloro-1-methylbenzene;3-tert-butyl-5-chloro-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-4,5-difluoro-1-methylindole;3-tert-butyl-5,6-difluoro-1-methylindole;3-tert-butyl-4,5-difluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-tert-butyl-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1cc2ccc(Cl)cc2o1.CC(C)(C)c1cccc(Cl)c1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1Cl.Cc1ccc(C(C)(C)C)cc1F.Cn1cc(C(C)(C)C)c2c(F)c(Cl)cnc21.Cn1cc(C(C)(C)C)c2c(F)c(F)ccc21.Cn1cc(C(C)(C)C)c2c(F)c(F)cnc21.Cn1cc(C(C)(C)C)c2cc(C(F)(F)F)cnc21.Cn1cc(C(C)(C)C)c2cc(C3CC3)cnc21.Cn1cc(C(C)(C)C)c2cc(Cl)c(F)cc21.Cn1cc(C(C)(C)C)c2cc(Cl)cnc21.Cn1cc(C(C)(C)C)c2cc(F)c(F)cc21.Cn1cc(C(C)(C)C)c2ccc(C(F)(F)F)nc21
InChIInChI=1S/C15H20N2.C13H15ClFN.2C13H15F3N2.2C13H15F2N.C12H14ClFN2.C12H15ClN2.C12H13ClO.C12H14F2N2.C11H15Cl.C11H15F.C11H16.C10H13Cl.11CH4/c1-15(2,3)13-9-17(4)14-12(13)7-11(8-16-14)10-5-6-10;1-13(2,3)9-7-16(4)12-6-11(15)10(14)5-8(9)12;1-12(2,3)10-7-18(4)11-9(10)5-8(6-17-11)13(14,15)16;1-12(2,3)9-7-18(4)11-8(9)5-6-10(17-11)13(14,15)16;1-13(2,3)9-7-16(4)12-6-11(15)10(14)5-8(9)12;1-13(2,3)8-7-16(4)10-6-5-9(14)12(15)11(8)10;1-12(2,3)7-6-16(4)11-9(7)10(14)8(13)5-15-11;1-12(2,3)10-7-15(4)11-9(10)5-8(13)6-14-11;1-12(2,3)11-6-8-4-5-9(13)7-10(8)14-11;1-12(2,3)7-6-16(4)11-9(7)10(14)8(13)5-15-11;2*1-8-5-6-9(7-10(8)12)11(2,3)4;1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)8-5-4-6-9(11)7-8;;;;;;;;;;;/h7-10H,5-6H2,1-4H3;5-7H,1-4H3;2*5-7H,1-4H3;2*5-7H,1-4H3;5-6H,1-4H3;5-7H,1-4H3;4-7H,1-3H3;5-6H,1-4H3;2*5-7H,1-4H3;5-8H,1-4H3;4-7H,1-3H3;11*1H4
InChIKeyFKWBFJKFTZRODF-UHFFFAOYSA-N
MW3165.83 g/mol
LogP59.33
Rot. Bonds1

About 1-tert-butyl-3-chlorobenzene;2-tert-butyl-6-chloro-1-benzofuran;3-tert-butyl-5-chloro-6-fluoro-1-methylindole;3-tert-butyl-5-chloro-4-fluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-chloro-1-methylbenzene;3-tert-butyl-5-chloro-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-4,5-difluoro-1-methylindole;3-tert-butyl-5,6-difluoro-1-methylindole;3-tert-butyl-4,5-difluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-tert-butyl-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;methane

1-tert-butyl-3-chlorobenzene;2-tert-butyl-6-chloro-1-benzofuran;3-tert-butyl-5-chloro-6-fluoro-1-methylindole;3-tert-butyl-5-chloro-4-fluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-chloro-1-methylbenzene;3-tert-butyl-5-chloro-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-4,5-difluoro-1-methylindole;3-tert-butyl-5,6-difluoro-1-methylindole;3-tert-butyl-4,5-difluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-tert-butyl-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;methane (PubChem CID 158062879) has the molecular formula C182H254Cl6F15N15O and a molecular weight of 3165.83 g/mol. Its IUPAC name is 1-tert-butyl-3-chlorobenzene;2-tert-butyl-6-chloro-1-benzofuran;3-tert-butyl-5-chloro-6-fluoro-1-methylindole;3-tert-butyl-5-chloro-4-fluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-chloro-1-methylbenzene;3-tert-butyl-5-chloro-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-4,5-difluoro-1-methylindole;3-tert-butyl-5,6-difluoro-1-methylindole;3-tert-butyl-4,5-difluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-tert-butyl-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;methane.

Molecular Properties

Compound Name1-tert-butyl-3-chlorobenzene;2-tert-butyl-6-chloro-1-benzofuran;3-tert-butyl-5-chloro-6-fluoro-1-methylindole;3-tert-butyl-5-chloro-4-fluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-chloro-1-methylbenzene;3-tert-butyl-5-chloro-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-4,5-difluoro-1-methylindole;3-tert-butyl-5,6-difluoro-1-methylindole;3-tert-butyl-4,5-difluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-tert-butyl-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;methane
PubChem CID158062879
Molecular FormulaC182H254Cl6F15N15O
Molecular Weight3165.83 g/mol
Exact Mass3160.82
IUPAC Name1-tert-butyl-3-chlorobenzene;2-tert-butyl-6-chloro-1-benzofuran;3-tert-butyl-5-chloro-6-fluoro-1-methylindole;3-tert-butyl-5-chloro-4-fluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-chloro-1-methylbenzene;3-tert-butyl-5-chloro-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-4,5-difluoro-1-methylindole;3-tert-butyl-5,6-difluoro-1-methylindole;3-tert-butyl-4,5-difluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-tert-butyl-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1cc2ccc(Cl)cc2o1.CC(C)(C)c1cccc(Cl)c1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1Cl.Cc1ccc(C(C)(C)C)cc1F.Cn1cc(C(C)(C)C)c2c(F)c(Cl)cnc21.Cn1cc(C(C)(C)C)c2c(F)c(F)ccc21.Cn1cc(C(C)(C)C)c2c(F)c(F)cnc21.Cn1cc(C(C)(C)C)c2cc(C(F)(F)F)cnc21.Cn1cc(C(C)(C)C)c2cc(C3CC3)cnc21.Cn1cc(C(C)(C)C)c2cc(Cl)c(F)cc21.Cn1cc(C(C)(C)C)c2cc(Cl)cnc21.Cn1cc(C(C)(C)C)c2cc(F)c(F)cc21.Cn1cc(C(C)(C)C)c2ccc(C(F)(F)F)nc21
InChIInChI=1S/C15H20N2.C13H15ClFN.2C13H15F3N2.2C13H15F2N.C12H14ClFN2.C12H15ClN2.C12H13ClO.C12H14F2N2.C11H15Cl.C11H15F.C11H16.C10H13Cl.11CH4/c1-15(2,3)13-9-17(4)14-12(13)7-11(8-16-14)10-5-6-10;1-13(2,3)9-7-16(4)12-6-11(15)10(14)5-8(9)12;1-12(2,3)10-7-18(4)11-9(10)5-8(6-17-11)13(14,15)16;1-12(2,3)9-7-18(4)11-8(9)5-6-10(17-11)13(14,15)16;1-13(2,3)9-7-16(4)12-6-11(15)10(14)5-8(9)12;1-13(2,3)8-7-16(4)10-6-5-9(14)12(15)11(8)10;1-12(2,3)7-6-16(4)11-9(7)10(14)8(13)5-15-11;1-12(2,3)10-7-15(4)11-9(10)5-8(13)6-14-11;1-12(2,3)11-6-8-4-5-9(13)7-10(8)14-11;1-12(2,3)7-6-16(4)11-9(7)10(14)8(13)5-15-11;2*1-8-5-6-9(7-10(8)12)11(2,3)4;1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)8-5-4-6-9(11)7-8;;;;;;;;;;;/h7-10H,5-6H2,1-4H3;5-7H,1-4H3;2*5-7H,1-4H3;2*5-7H,1-4H3;5-6H,1-4H3;5-7H,1-4H3;4-7H,1-3H3;5-6H,1-4H3;2*5-7H,1-4H3;5-8H,1-4H3;4-7H,1-3H3;11*1H4
InChIKeyFKWBFJKFTZRODF-UHFFFAOYSA-N
XLogP59.33
TPSA134.85 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds1
Heavy Atoms219
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003165.83
LogP ≤ 559.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 1-tert-butyl-3-chlorobenzene;2-tert-butyl-6-chloro-1-benzofuran;3-tert-butyl-5-chloro-6-fluoro-1-methylindole;3-tert-butyl-5-chloro-4-fluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-chloro-1-methylbenzene;3-tert-butyl-5-chloro-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-4,5-difluoro-1-methylindole;3-tert-butyl-5,6-difluoro-1-methylindole;3-tert-butyl-4,5-difluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-tert-butyl-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;methane with MolForge

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Related Compounds

2-tert-butyl-1-benzofuran;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,3-difluorobenzene;1-tert-butyl-2,5-difluoro-4-methylbenzene;1-tert-butyl-2-ethoxybenzene;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butylquinoline;[3-(4-fluoro-2-methylphenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;[8-methyl-3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;(2-methylphenyl)-[3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 158234678
1-tert-butyl-6-chloro-2-methylbenzimidazole;1-tert-butyl-2,3-dimethylindole;bis(3-tert-butyl-1,2-dimethylindole);1-tert-butyl-2-ethylbenzimidazole;1-tert-butylimidazo[4,5-b]pyridine;1-tert-butyl-2-methylbenzimidazole;bis(3-tert-butyl-2-methyl-1-benzofuran);3-tert-butyl-2-methylimidazo[1,2-a]pyridine;1-tert-butyl-2-methylimidazo[4,5-b]pyridine;tris(1-tert-butyl-2-methylindole);1-tert-butyl-3-methylindole;bis(3-tert-butyl-2-methyl-1H-indole);3-tert-butyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine;1-tert-butyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine;1-tert-butyl-2-(trifluoromethyl)indole
CID 160068967
N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide;2,5-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,5-dichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-fluoro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 161139988

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-chlorobenzene;2-tert-butyl-6-chloro-1-benzofuran;3-tert-butyl-5-chloro-6-fluoro-1-methylindole;3-tert-butyl-5-chloro-4-fluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-chloro-1-methylbenzene;3-tert-butyl-5-chloro-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-4,5-difluoro-1-methylindole;3-tert-butyl-5,6-difluoro-1-methylindole;3-tert-butyl-4,5-difluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-tert-butyl-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;methane?
The IUPAC name of 1-tert-butyl-3-chlorobenzene;2-tert-butyl-6-chloro-1-benzofuran;3-tert-butyl-5-chloro-6-fluoro-1-methylindole;3-tert-butyl-5-chloro-4-fluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-chloro-1-methylbenzene;3-tert-butyl-5-chloro-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-4,5-difluoro-1-methylindole;3-tert-butyl-5,6-difluoro-1-methylindole;3-tert-butyl-4,5-difluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-tert-butyl-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;methane (CID 158062879) is 1-tert-butyl-3-chlorobenzene;2-tert-butyl-6-chloro-1-benzofuran;3-tert-butyl-5-chloro-6-fluoro-1-methylindole;3-tert-butyl-5-chloro-4-fluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-chloro-1-methylbenzene;3-tert-butyl-5-chloro-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-4,5-difluoro-1-methylindole;3-tert-butyl-5,6-difluoro-1-methylindole;3-tert-butyl-4,5-difluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-tert-butyl-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;methane.
What is the SMILES notation for 1-tert-butyl-3-chlorobenzene;2-tert-butyl-6-chloro-1-benzofuran;3-tert-butyl-5-chloro-6-fluoro-1-methylindole;3-tert-butyl-5-chloro-4-fluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-chloro-1-methylbenzene;3-tert-butyl-5-chloro-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-4,5-difluoro-1-methylindole;3-tert-butyl-5,6-difluoro-1-methylindole;3-tert-butyl-4,5-difluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-tert-butyl-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;methane?
The canonical SMILES for 1-tert-butyl-3-chlorobenzene;2-tert-butyl-6-chloro-1-benzofuran;3-tert-butyl-5-chloro-6-fluoro-1-methylindole;3-tert-butyl-5-chloro-4-fluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-chloro-1-methylbenzene;3-tert-butyl-5-chloro-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-4,5-difluoro-1-methylindole;3-tert-butyl-5,6-difluoro-1-methylindole;3-tert-butyl-4,5-difluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-tert-butyl-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;methane is C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1cc2ccc(Cl)cc2o1.CC(C)(C)c1cccc(Cl)c1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1Cl.Cc1ccc(C(C)(C)C)cc1F.Cn1cc(C(C)(C)C)c2c(F)c(Cl)cnc21.Cn1cc(C(C)(C)C)c2c(F)c(F)ccc21.Cn1cc(C(C)(C)C)c2c(F)c(F)cnc21.Cn1cc(C(C)(C)C)c2cc(C(F)(F)F)cnc21.Cn1cc(C(C)(C)C)c2cc(C3CC3)cnc21.Cn1cc(C(C)(C)C)c2cc(Cl)c(F)cc21.Cn1cc(C(C)(C)C)c2cc(Cl)cnc21.Cn1cc(C(C)(C)C)c2cc(F)c(F)cc21.Cn1cc(C(C)(C)C)c2ccc(C(F)(F)F)nc21.
What is the InChIKey of 1-tert-butyl-3-chlorobenzene;2-tert-butyl-6-chloro-1-benzofuran;3-tert-butyl-5-chloro-6-fluoro-1-methylindole;3-tert-butyl-5-chloro-4-fluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-chloro-1-methylbenzene;3-tert-butyl-5-chloro-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-4,5-difluoro-1-methylindole;3-tert-butyl-5,6-difluoro-1-methylindole;3-tert-butyl-4,5-difluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-tert-butyl-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;methane?
The InChIKey is FKWBFJKFTZRODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2.C13H15ClFN.2C13H15F3N2.2C13H15F2N.C12H14ClFN2.C12H15ClN2.C12H13ClO.C12H14F2N2.C11H15Cl.C11H15F.C11H16.C10H13Cl.11CH4/c1-15(2,3)13-9-17(4)14-12(13)7-11(8-16-14)10-5-6-10;1-13(2,3)9-7-16(4)12-6-11(15)10(14)5-8(9)12;1-12(2,3)10-7-18(4)11-9(10)5-8(6-17-11)13(14,15)16;1-12(2,3)9-7-18(4)11-8(9)5-6-10(17-11)13(14,15)16;1-13(2,3)9-7-16(4)12-6-11(15)10(14)5-8(9)12;1-13(2,3)8-7-16(4)10-6-5-9(14)12(15)11(8)10;1-12(2,3)7-6-16(4)11-9(7)10(14)8(13)5-15-11;1-12(2,3)10-7-15(4)11-9(10)5-8(13)6-14-11;1-12(2,3)11-6-8-4-5-9(13)7-10(8)14-11;1-12(2,3)7-6-16(4)11-9(7)10(14)8(13)5-15-11;2*1-8-5-6-9(7-10(8)12)11(2,3)4;1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)8-5-4-6-9(11)7-8;;;;;;;;;;;/h7-10H,5-6H2,1-4H3;5-7H,1-4H3;2*5-7H,1-4H3;2*5-7H,1-4H3;5-6H,1-4H3;5-7H,1-4H3;4-7H,1-3H3;5-6H,1-4H3;2*5-7H,1-4H3;5-8H,1-4H3;4-7H,1-3H3;11*1H4.
What are the key properties of 1-tert-butyl-3-chlorobenzene;2-tert-butyl-6-chloro-1-benzofuran;3-tert-butyl-5-chloro-6-fluoro-1-methylindole;3-tert-butyl-5-chloro-4-fluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-chloro-1-methylbenzene;3-tert-butyl-5-chloro-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-4,5-difluoro-1-methylindole;3-tert-butyl-5,6-difluoro-1-methylindole;3-tert-butyl-4,5-difluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-tert-butyl-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;methane?
1-tert-butyl-3-chlorobenzene;2-tert-butyl-6-chloro-1-benzofuran;3-tert-butyl-5-chloro-6-fluoro-1-methylindole;3-tert-butyl-5-chloro-4-fluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-chloro-1-methylbenzene;3-tert-butyl-5-chloro-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-4,5-difluoro-1-methylindole;3-tert-butyl-5,6-difluoro-1-methylindole;3-tert-butyl-4,5-difluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-tert-butyl-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;methane has a molecular weight of 3165.83 g/mol, XLogP of 59.33, 1 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-chlorobenzene;2-tert-butyl-6-chloro-1-benzofuran;3-tert-butyl-5-chloro-6-fluoro-1-methylindole;3-tert-butyl-5-chloro-4-fluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-chloro-1-methylbenzene;3-tert-butyl-5-chloro-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-4,5-difluoro-1-methylindole;3-tert-butyl-5,6-difluoro-1-methylindole;3-tert-butyl-4,5-difluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-tert-butyl-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;methane is sourced from PubChem (CID 158062879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).