1-chloro-3-fluoro-5-(2-methylpropyl)benzene;1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-chloro-5-(2-methylpropyl)thiophene;1,3-difluoro-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;3-fluoro-2-methyl-5-(2-methylpropyl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;3-fluoro-5-(2-methylpropyl)pyridine;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;1-methyl-4-(2-methylpropyl)benzene

C128H172Cl3F11N2O3S — CID 159297949

IUPAC1-chloro-3-fluoro-5-(2-methylpropyl)benzene;1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-chloro-5-(2-methylpropyl)thiophene;1,3-difluoro-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;3-fluoro-2-methyl-5-(2-methylpropyl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;3-fluoro-5-(2-methylpropyl)pyridine;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;1-methyl-4-(2-methylpropyl)benzene
SMILESCC(C)C(C)c1cc(F)cc(F)c1.CC(C)C1CCOc2ccc(F)cc21.CC(C)Cc1cc(F)cc(Cl)c1.CC(C)Cc1ccc(Cl)s1.CC(C)Cc1cncc(F)c1.Cc1cc(C(CO)C(C)C)cc(F)c1F.Cc1cc(Cl)cc(CC(C)C)c1.Cc1cc(F)cc(C(CO)C(C)C)c1.Cc1cc(F)cc(CC(C)C)c1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1F.Cc1ncc(CC(C)C)cc1F
InChIInChI=1S/C12H16F2O.C12H15FO.C12H17FO.C11H15Cl.C11H14F2.2C11H15F.C11H16.C10H12ClF.C10H14FN.C9H12FN.C8H11ClS/c1-7(2)10(6-15)9-4-8(3)12(14)11(13)5-9;1-8(2)10-5-6-14-12-4-3-9(13)7-11(10)12;1-8(2)12(7-14)10-4-9(3)5-11(13)6-10;1-8(2)4-10-5-9(3)6-11(12)7-10;1-7(2)8(3)9-4-10(12)6-11(13)5-9;1-8(2)4-10-5-9(3)6-11(12)7-10;1-8(2)6-10-5-4-9(3)11(12)7-10;1-9(2)8-11-6-4-10(3)5-7-11;1-7(2)3-8-4-9(11)6-10(12)5-8;1-7(2)4-9-5-10(11)8(3)12-6-9;1-7(2)3-8-4-9(10)6-11-5-8;1-6(2)5-7-3-4-8(9)10-7/h4-5,7,10,15H,6H2,1-3H3;3-4,7-8,10H,5-6H2,1-2H3;4-6,8,12,14H,7H2,1-3H3;5-8H,4H2,1-3H3;4-8H,1-3H3;5-8H,4H2,1-3H3;4-5,7-8H,6H2,1-3H3;4-7,9H,8H2,1-3H3;4-7H,3H2,1-2H3;5-7H,4H2,1-3H3;4-7H,3H2,1-2H3;3-4,6H,5H2,1-2H3
InChIKeyLAYSPDJPPBYTOT-UHFFFAOYSA-N
MW2134.20 g/mol
LogP39.07
Rot. Bonds25

About 1-chloro-3-fluoro-5-(2-methylpropyl)benzene;1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-chloro-5-(2-methylpropyl)thiophene;1,3-difluoro-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;3-fluoro-2-methyl-5-(2-methylpropyl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;3-fluoro-5-(2-methylpropyl)pyridine;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;1-methyl-4-(2-methylpropyl)benzene

1-chloro-3-fluoro-5-(2-methylpropyl)benzene;1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-chloro-5-(2-methylpropyl)thiophene;1,3-difluoro-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;3-fluoro-2-methyl-5-(2-methylpropyl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;3-fluoro-5-(2-methylpropyl)pyridine;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;1-methyl-4-(2-methylpropyl)benzene (PubChem CID 159297949) has the molecular formula C128H172Cl3F11N2O3S and a molecular weight of 2134.20 g/mol. Its IUPAC name is 1-chloro-3-fluoro-5-(2-methylpropyl)benzene;1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-chloro-5-(2-methylpropyl)thiophene;1,3-difluoro-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;3-fluoro-2-methyl-5-(2-methylpropyl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;3-fluoro-5-(2-methylpropyl)pyridine;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;1-methyl-4-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-chloro-3-fluoro-5-(2-methylpropyl)benzene;1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-chloro-5-(2-methylpropyl)thiophene;1,3-difluoro-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;3-fluoro-2-methyl-5-(2-methylpropyl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;3-fluoro-5-(2-methylpropyl)pyridine;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;1-methyl-4-(2-methylpropyl)benzene
PubChem CID159297949
Molecular FormulaC128H172Cl3F11N2O3S
Molecular Weight2134.20 g/mol
Exact Mass2131.20
IUPAC Name1-chloro-3-fluoro-5-(2-methylpropyl)benzene;1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-chloro-5-(2-methylpropyl)thiophene;1,3-difluoro-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;3-fluoro-2-methyl-5-(2-methylpropyl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;3-fluoro-5-(2-methylpropyl)pyridine;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;1-methyl-4-(2-methylpropyl)benzene
SMILESCC(C)C(C)c1cc(F)cc(F)c1.CC(C)C1CCOc2ccc(F)cc21.CC(C)Cc1cc(F)cc(Cl)c1.CC(C)Cc1ccc(Cl)s1.CC(C)Cc1cncc(F)c1.Cc1cc(C(CO)C(C)C)cc(F)c1F.Cc1cc(Cl)cc(CC(C)C)c1.Cc1cc(F)cc(C(CO)C(C)C)c1.Cc1cc(F)cc(CC(C)C)c1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1F.Cc1ncc(CC(C)C)cc1F
InChIInChI=1S/C12H16F2O.C12H15FO.C12H17FO.C11H15Cl.C11H14F2.2C11H15F.C11H16.C10H12ClF.C10H14FN.C9H12FN.C8H11ClS/c1-7(2)10(6-15)9-4-8(3)12(14)11(13)5-9;1-8(2)10-5-6-14-12-4-3-9(13)7-11(10)12;1-8(2)12(7-14)10-4-9(3)5-11(13)6-10;1-8(2)4-10-5-9(3)6-11(12)7-10;1-7(2)8(3)9-4-10(12)6-11(13)5-9;1-8(2)4-10-5-9(3)6-11(12)7-10;1-8(2)6-10-5-4-9(3)11(12)7-10;1-9(2)8-11-6-4-10(3)5-7-11;1-7(2)3-8-4-9(11)6-10(12)5-8;1-7(2)4-9-5-10(11)8(3)12-6-9;1-7(2)3-8-4-9(10)6-11-5-8;1-6(2)5-7-3-4-8(9)10-7/h4-5,7,10,15H,6H2,1-3H3;3-4,7-8,10H,5-6H2,1-2H3;4-6,8,12,14H,7H2,1-3H3;5-8H,4H2,1-3H3;4-8H,1-3H3;5-8H,4H2,1-3H3;4-5,7-8H,6H2,1-3H3;4-7,9H,8H2,1-3H3;4-7H,3H2,1-2H3;5-7H,4H2,1-3H3;4-7H,3H2,1-2H3;3-4,6H,5H2,1-2H3
InChIKeyLAYSPDJPPBYTOT-UHFFFAOYSA-N
XLogP39.07
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms148
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002134.20
LogP ≤ 539.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-chloro-3-fluoro-5-(2-methylpropyl)benzene;1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-chloro-5-(2-methylpropyl)thiophene;1,3-difluoro-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;3-fluoro-2-methyl-5-(2-methylpropyl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;3-fluoro-5-(2-methylpropyl)pyridine;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;1-methyl-4-(2-methylpropyl)benzene with MolForge

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Related Compounds

2-Chloro-1-methyl-4-propan-2-ylbenzene;cumene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);2-methylbutane;3-methylbutylbenzene;2-methylpropane;tris(1-methyl-4-propan-2-ylbenzene);1-phenyl-3-propan-2-ylbenzene;5-propan-2-ylbicyclo[2.2.1]hept-2-ene;propan-2-ylcyclohexane;1-propan-2-ylnaphthalene;(2-propan-2-ylphenyl)methanol;3-propan-2-ylpyridine;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethoxy)benzene
CID 157480403
2-Chloro-4-[4-(2,2-dimethylpropyl)phenyl]thiophene;2-chloro-5-[4-(2,2-dimethylpropyl)phenyl]thiophene;1-(2,2-dimethylpropyl)-4-(3-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-[3-(methoxymethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-(3-methoxyphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-methoxyphenyl)benzene;[3-[4-(2,2-dimethylpropyl)phenyl]phenyl]methanol;3-[4-(2,2-dimethylpropyl)phenyl]pyridine;4-[4-(2,2-dimethylpropyl)phenyl]pyridine;1-(2,2-dimethylpropyl)-4-[3-(trifluoromethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-[4-(trifluoromethyl)phenyl]benzene
CID 158847347
1-Tert-butyl-3-chlorobenzene;2-tert-butyl-1,4-dichlorobenzene;1-tert-butyl-3-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;(2-tert-butyl-4-methylphenyl)methanol;(5-tert-butyl-2-methylphenyl)methanol;5-tert-butyl-2-methylpyridine;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;2-tert-butyl-1,3-thiazole;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-methylpyridine
CID 160284391
1-chloro-3-methyl-5-propan-2-ylbenzene;cumene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-fluoro-3-methyl-5-propan-2-ylbenzene);2-fluoro-4-methyl-1-propan-2-ylbenzene;3-fluoro-2-methyl-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;pentakis(1-methyl-4-propan-2-ylbenzene);3-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylthiophene;pentafluoro-(3-propan-2-ylphenyl)-lambda6-sulfane;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;4-propan-2-yl-3,4-dihydro-2H-chromene
CID 161746943
2-Chloro-1-methyl-4-propan-2-ylbenzene;cumene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);methane;2-methylbutane;3-methylbutylbenzene;2-methylpropane;tris(1-methyl-4-propan-2-ylbenzene);1-phenyl-3-propan-2-ylbenzene;5-propan-2-ylbicyclo[2.2.1]hept-2-ene;propan-2-ylcyclohexane;1-propan-2-ylnaphthalene;(2-propan-2-ylphenyl)methanol;3-propan-2-ylpyridine;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethoxy)benzene
CID 162100577
2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2-(3,5-difluorophenyl)-3-methylbutan-1-ol;3-fluoro-5-(3-methylbutan-2-yl)pyridine;3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;bis(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane
CID 158107432
2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2-(3,5-difluorophenyl)-3-methylbutan-1-ol;3-fluoro-5-(3-methylbutan-2-yl)pyridine;3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;bis(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;3-methyl-2-(3-methylphenyl)butan-1-ol;tris(3-methyl-2-(4-methylphenyl)butan-1-ol);trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane
CID 158307927
5-tert-butyl-2,3-difluoropyridine;bis(1-tert-butyl-4-methylbenzene);2-tert-butyl-5-methylthiophene;(3-tert-butylphenoxy)-pentafluoro-lambda6-sulfane;(3-tert-butylphenyl)-pentafluoro-lambda6-sulfane;1-chloro-2,4-difluoro-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene
CID 158440167
tert-butylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;5-tert-butyl-3-fluoro-2-methylpyridine;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylthiophene;1-chloro-3-methyl-5-propan-2-ylbenzene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;methane;3-methyl-2-(4-methylphenyl)butan-1-ol;1-methyl-4-(2-methylpropyl)benzene;3-methyl-2-[3-(pentafluoro-lambda6-sulfanyl)oxyphenyl]butan-1-ol;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene;pentafluoro-[3-methyl-2-(4-methylphenyl)butoxy]-lambda6-sulfane
CID 158706892
1-(2-Chloroethyl)-4-propan-2-ylbenzene;5-chloro-3-fluoro-2-propan-2-ylpyridine;4-chloro-2-methyl-1-propan-2-ylbenzene;3-chloro-2-methyl-6-propan-2-ylpyridine;2-chloro-4-propan-2-ylthiophene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);5-methyl-2-propan-2-ylpyridine;1-methylsulfanyl-4-propan-2-ylbenzene
CID 159554155
1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-2-methyl-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(3-methylbutan-2-yl)benzene;bis(1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene);3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methylbutan-2-ylbenzene;bis(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene
CID 159882898
tert-butylbenzene;5-tert-butyl-2,3-difluoropyridine;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;tris(1-tert-butyl-4-methylbenzene);2-tert-butyl-5-methylthiophene;(3-tert-butylphenyl)-pentafluoro-lambda6-sulfane;1-chloro-3-methyl-5-propan-2-ylbenzene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;7-fluoro-5-propan-2-yl-3,4-dihydro-2H-chromene;methane;1-methyl-4-propan-2-ylbenzene;pentafluoro-[2-(4-fluorophenyl)-3-methylbutoxy]-lambda6-sulfane
CID 160045758

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-5-(2-methylpropyl)benzene;1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-chloro-5-(2-methylpropyl)thiophene;1,3-difluoro-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;3-fluoro-2-methyl-5-(2-methylpropyl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;3-fluoro-5-(2-methylpropyl)pyridine;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;1-methyl-4-(2-methylpropyl)benzene?
The IUPAC name of 1-chloro-3-fluoro-5-(2-methylpropyl)benzene;1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-chloro-5-(2-methylpropyl)thiophene;1,3-difluoro-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;3-fluoro-2-methyl-5-(2-methylpropyl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;3-fluoro-5-(2-methylpropyl)pyridine;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;1-methyl-4-(2-methylpropyl)benzene (CID 159297949) is 1-chloro-3-fluoro-5-(2-methylpropyl)benzene;1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-chloro-5-(2-methylpropyl)thiophene;1,3-difluoro-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;3-fluoro-2-methyl-5-(2-methylpropyl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;3-fluoro-5-(2-methylpropyl)pyridine;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;1-methyl-4-(2-methylpropyl)benzene.
What is the SMILES notation for 1-chloro-3-fluoro-5-(2-methylpropyl)benzene;1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-chloro-5-(2-methylpropyl)thiophene;1,3-difluoro-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;3-fluoro-2-methyl-5-(2-methylpropyl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;3-fluoro-5-(2-methylpropyl)pyridine;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;1-methyl-4-(2-methylpropyl)benzene?
The canonical SMILES for 1-chloro-3-fluoro-5-(2-methylpropyl)benzene;1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-chloro-5-(2-methylpropyl)thiophene;1,3-difluoro-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;3-fluoro-2-methyl-5-(2-methylpropyl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;3-fluoro-5-(2-methylpropyl)pyridine;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;1-methyl-4-(2-methylpropyl)benzene is CC(C)C(C)c1cc(F)cc(F)c1.CC(C)C1CCOc2ccc(F)cc21.CC(C)Cc1cc(F)cc(Cl)c1.CC(C)Cc1ccc(Cl)s1.CC(C)Cc1cncc(F)c1.Cc1cc(C(CO)C(C)C)cc(F)c1F.Cc1cc(Cl)cc(CC(C)C)c1.Cc1cc(F)cc(C(CO)C(C)C)c1.Cc1cc(F)cc(CC(C)C)c1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1F.Cc1ncc(CC(C)C)cc1F.
What is the InChIKey of 1-chloro-3-fluoro-5-(2-methylpropyl)benzene;1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-chloro-5-(2-methylpropyl)thiophene;1,3-difluoro-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;3-fluoro-2-methyl-5-(2-methylpropyl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;3-fluoro-5-(2-methylpropyl)pyridine;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;1-methyl-4-(2-methylpropyl)benzene?
The InChIKey is LAYSPDJPPBYTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O.C12H15FO.C12H17FO.C11H15Cl.C11H14F2.2C11H15F.C11H16.C10H12ClF.C10H14FN.C9H12FN.C8H11ClS/c1-7(2)10(6-15)9-4-8(3)12(14)11(13)5-9;1-8(2)10-5-6-14-12-4-3-9(13)7-11(10)12;1-8(2)12(7-14)10-4-9(3)5-11(13)6-10;1-8(2)4-10-5-9(3)6-11(12)7-10;1-7(2)8(3)9-4-10(12)6-11(13)5-9;1-8(2)4-10-5-9(3)6-11(12)7-10;1-8(2)6-10-5-4-9(3)11(12)7-10;1-9(2)8-11-6-4-10(3)5-7-11;1-7(2)3-8-4-9(11)6-10(12)5-8;1-7(2)4-9-5-10(11)8(3)12-6-9;1-7(2)3-8-4-9(10)6-11-5-8;1-6(2)5-7-3-4-8(9)10-7/h4-5,7,10,15H,6H2,1-3H3;3-4,7-8,10H,5-6H2,1-2H3;4-6,8,12,14H,7H2,1-3H3;5-8H,4H2,1-3H3;4-8H,1-3H3;5-8H,4H2,1-3H3;4-5,7-8H,6H2,1-3H3;4-7,9H,8H2,1-3H3;4-7H,3H2,1-2H3;5-7H,4H2,1-3H3;4-7H,3H2,1-2H3;3-4,6H,5H2,1-2H3.
What are the key properties of 1-chloro-3-fluoro-5-(2-methylpropyl)benzene;1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-chloro-5-(2-methylpropyl)thiophene;1,3-difluoro-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;3-fluoro-2-methyl-5-(2-methylpropyl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;3-fluoro-5-(2-methylpropyl)pyridine;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;1-methyl-4-(2-methylpropyl)benzene?
1-chloro-3-fluoro-5-(2-methylpropyl)benzene;1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-chloro-5-(2-methylpropyl)thiophene;1,3-difluoro-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;3-fluoro-2-methyl-5-(2-methylpropyl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;3-fluoro-5-(2-methylpropyl)pyridine;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;1-methyl-4-(2-methylpropyl)benzene has a molecular weight of 2134.20 g/mol, XLogP of 39.07, 25 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluoro-5-(2-methylpropyl)benzene;1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-chloro-5-(2-methylpropyl)thiophene;1,3-difluoro-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;3-fluoro-2-methyl-5-(2-methylpropyl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;3-fluoro-5-(2-methylpropyl)pyridine;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;1-methyl-4-(2-methylpropyl)benzene is sourced from PubChem (CID 159297949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).