tert-butylbenzene;1-tert-butyl-4-fluorobenzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1,3-difluoro-5-propan-2-ylbenzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;3-methyl-2-(4-methylphenyl)butan-1-ol;bis(1-methyl-4-(2-methylpropyl)benzene);[5-methyl-2-(2-methylpropyl)phenyl]methanol;2-methyl-5-(2-methylpropyl)thiophene;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol;pentafluoro-[2-(4-fluorophenyl)-3-methylbutoxy]-λ6-sulfane;pentafluoro-[4-(2-methylpropyl)phenyl]-λ6-sulfane;1,2,3-trifluoro-5-propan-2-ylbenzene

C197H278F33NO10S5 — CID 158974387

IUPACtert-butylbenzene;1-tert-butyl-4-fluorobenzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1,3-difluoro-5-propan-2-ylbenzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;3-methyl-2-(4-methylphenyl)butan-1-ol;bis(1-methyl-4-(2-methylpropyl)benzene);[5-methyl-2-(2-methylpropyl)phenyl]methanol;2-methyl-5-(2-methylpropyl)thiophene;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol;pentafluoro-[2-(4-fluorophenyl)-3-methylbutoxy]-λ6-sulfane;pentafluoro-[4-(2-methylpropyl)phenyl]-λ6-sulfane;1,2,3-trifluoro-5-propan-2-ylbenzene
SMILESC.C.C.C.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccccc1.CC(C)C(CO)c1ccc(S(F)(F)(F)(F)F)cc1.CC(C)C(CO)c1cccc(OS(F)(F)(F)(F)F)c1.CC(C)C(COS(F)(F)(F)(F)F)c1ccc(F)cc1.CC(C)C1CCOc2ccc(F)cc21.CC(C)Cc1ccc(S(F)(F)(F)(F)F)cc1.CC(C)Cc1cnc(F)c(F)c1.CC(C)c1cc(F)c(F)c(F)c1.CC(C)c1cc(F)cc(F)c1.Cc1cc(C(CO)C(C)C)cc(F)c1F.Cc1cc(F)cc(C(CO)C(C)C)c1.Cc1ccc(C(CO)C(C)C)cc1.Cc1ccc(CC(C)C)c(CO)c1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)s1.Cc1cccc(C(CO)C(C)C)c1
InChIInChI=1S/C12H16F2O.C12H15FO.C12H17FO.3C12H18O.C11H14F6OS.C11H15F5O2S.C11H15F5OS.2C11H16.C10H13F5S.C10H13F.C10H14.C9H9F3.C9H11F2N.C9H10F2.C9H14S.4CH4/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;1-9(2)12(8-13)11-6-4-10(3)5-7-11;1-9(2)6-11-5-4-10(3)7-12(11)8-13;1-9(2)12(8-13)11-6-4-5-10(3)7-11;1-8(2)11(7-18-19(13,14,15,16)17)9-3-5-10(12)6-4-9;1-8(2)11(7-17)9-4-3-5-10(6-9)18-19(12,13,14,15)16;1-8(2)11(7-17)9-3-5-10(6-4-9)18(12,13,14,15)16;2*1-9(2)8-11-6-4-10(3)5-7-11;1-8(2)7-9-3-5-10(6-4-9)16(11,12,13,14)15;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)9-7-5-4-6-8-9;1-5(2)6-3-7(10)9(12)8(11)4-6;1-6(2)3-7-4-8(10)9(11)12-5-7;1-6(2)7-3-8(10)5-9(11)4-7;1-7(2)6-9-5-4-8(3)10-9;;;;/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;4-7,9,12-13H,8H2,1-3H3;4-5,7,9,13H,6,8H2,1-3H3;4-7,9,12-13H,8H2,1-3H3;3-6,8,11H,7H2,1-2H3;3-6,8,11,17H,7H2,1-2H3;3-6,8,11,17H,7H2,1-2H3;2*4-7,9H,8H2,1-3H3;3-6,8H,7H2,1-2H3;4-7H,1-3H3;4-8H,1-3H3;3-5H,1-2H3;4-6H,3H2,1-2H3;3-6H,1-2H3;4-5,7H,6H2,1-3H3;4*1H4
InChIKeyJOEYIDJNFCVJID-UHFFFAOYSA-N
MW3607.66 g/mol
LogP65.95
Rot. Bonds43

About tert-butylbenzene;1-tert-butyl-4-fluorobenzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1,3-difluoro-5-propan-2-ylbenzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;3-methyl-2-(4-methylphenyl)butan-1-ol;bis(1-methyl-4-(2-methylpropyl)benzene);[5-methyl-2-(2-methylpropyl)phenyl]methanol;2-methyl-5-(2-methylpropyl)thiophene;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol;pentafluoro-[2-(4-fluorophenyl)-3-methylbutoxy]-λ6-sulfane;pentafluoro-[4-(2-methylpropyl)phenyl]-λ6-sulfane;1,2,3-trifluoro-5-propan-2-ylbenzene

tert-butylbenzene;1-tert-butyl-4-fluorobenzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1,3-difluoro-5-propan-2-ylbenzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;3-methyl-2-(4-methylphenyl)butan-1-ol;bis(1-methyl-4-(2-methylpropyl)benzene);[5-methyl-2-(2-methylpropyl)phenyl]methanol;2-methyl-5-(2-methylpropyl)thiophene;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol;pentafluoro-[2-(4-fluorophenyl)-3-methylbutoxy]-λ6-sulfane;pentafluoro-[4-(2-methylpropyl)phenyl]-λ6-sulfane;1,2,3-trifluoro-5-propan-2-ylbenzene (PubChem CID 158974387) has the molecular formula C197H278F33NO10S5 and a molecular weight of 3607.66 g/mol. Its IUPAC name is tert-butylbenzene;1-tert-butyl-4-fluorobenzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1,3-difluoro-5-propan-2-ylbenzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;3-methyl-2-(4-methylphenyl)butan-1-ol;bis(1-methyl-4-(2-methylpropyl)benzene);[5-methyl-2-(2-methylpropyl)phenyl]methanol;2-methyl-5-(2-methylpropyl)thiophene;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol;pentafluoro-[2-(4-fluorophenyl)-3-methylbutoxy]-λ6-sulfane;pentafluoro-[4-(2-methylpropyl)phenyl]-λ6-sulfane;1,2,3-trifluoro-5-propan-2-ylbenzene.

Molecular Properties

Compound Nametert-butylbenzene;1-tert-butyl-4-fluorobenzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1,3-difluoro-5-propan-2-ylbenzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;3-methyl-2-(4-methylphenyl)butan-1-ol;bis(1-methyl-4-(2-methylpropyl)benzene);[5-methyl-2-(2-methylpropyl)phenyl]methanol;2-methyl-5-(2-methylpropyl)thiophene;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol;pentafluoro-[2-(4-fluorophenyl)-3-methylbutoxy]-λ6-sulfane;pentafluoro-[4-(2-methylpropyl)phenyl]-λ6-sulfane;1,2,3-trifluoro-5-propan-2-ylbenzene
PubChem CID158974387
Molecular FormulaC197H278F33NO10S5
Molecular Weight3607.66 g/mol
Exact Mass3604.94
IUPAC Nametert-butylbenzene;1-tert-butyl-4-fluorobenzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1,3-difluoro-5-propan-2-ylbenzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;3-methyl-2-(4-methylphenyl)butan-1-ol;bis(1-methyl-4-(2-methylpropyl)benzene);[5-methyl-2-(2-methylpropyl)phenyl]methanol;2-methyl-5-(2-methylpropyl)thiophene;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol;pentafluoro-[2-(4-fluorophenyl)-3-methylbutoxy]-λ6-sulfane;pentafluoro-[4-(2-methylpropyl)phenyl]-λ6-sulfane;1,2,3-trifluoro-5-propan-2-ylbenzene
SMILESC.C.C.C.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccccc1.CC(C)C(CO)c1ccc(S(F)(F)(F)(F)F)cc1.CC(C)C(CO)c1cccc(OS(F)(F)(F)(F)F)c1.CC(C)C(COS(F)(F)(F)(F)F)c1ccc(F)cc1.CC(C)C1CCOc2ccc(F)cc21.CC(C)Cc1ccc(S(F)(F)(F)(F)F)cc1.CC(C)Cc1cnc(F)c(F)c1.CC(C)c1cc(F)c(F)c(F)c1.CC(C)c1cc(F)cc(F)c1.Cc1cc(C(CO)C(C)C)cc(F)c1F.Cc1cc(F)cc(C(CO)C(C)C)c1.Cc1ccc(C(CO)C(C)C)cc1.Cc1ccc(CC(C)C)c(CO)c1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)s1.Cc1cccc(C(CO)C(C)C)c1
InChIInChI=1S/C12H16F2O.C12H15FO.C12H17FO.3C12H18O.C11H14F6OS.C11H15F5O2S.C11H15F5OS.2C11H16.C10H13F5S.C10H13F.C10H14.C9H9F3.C9H11F2N.C9H10F2.C9H14S.4CH4/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;1-9(2)12(8-13)11-6-4-10(3)5-7-11;1-9(2)6-11-5-4-10(3)7-12(11)8-13;1-9(2)12(8-13)11-6-4-5-10(3)7-11;1-8(2)11(7-18-19(13,14,15,16)17)9-3-5-10(12)6-4-9;1-8(2)11(7-17)9-4-3-5-10(6-9)18-19(12,13,14,15)16;1-8(2)11(7-17)9-3-5-10(6-4-9)18(12,13,14,15)16;2*1-9(2)8-11-6-4-10(3)5-7-11;1-8(2)7-9-3-5-10(6-4-9)16(11,12,13,14)15;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)9-7-5-4-6-8-9;1-5(2)6-3-7(10)9(12)8(11)4-6;1-6(2)3-7-4-8(10)9(11)12-5-7;1-6(2)7-3-8(10)5-9(11)4-7;1-7(2)6-9-5-4-8(3)10-9;;;;/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;4-7,9,12-13H,8H2,1-3H3;4-5,7,9,13H,6,8H2,1-3H3;4-7,9,12-13H,8H2,1-3H3;3-6,8,11H,7H2,1-2H3;3-6,8,11,17H,7H2,1-2H3;3-6,8,11,17H,7H2,1-2H3;2*4-7,9H,8H2,1-3H3;3-6,8H,7H2,1-2H3;4-7H,1-3H3;4-8H,1-3H3;3-5H,1-2H3;4-6H,3H2,1-2H3;3-6H,1-2H3;4-5,7H,6H2,1-3H3;4*1H4
InChIKeyJOEYIDJNFCVJID-UHFFFAOYSA-N
XLogP65.95
TPSA182.19 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds43
Heavy Atoms246
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003607.66
LogP ≤ 565.95
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze tert-butylbenzene;1-tert-butyl-4-fluorobenzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1,3-difluoro-5-propan-2-ylbenzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;3-methyl-2-(4-methylphenyl)butan-1-ol;bis(1-methyl-4-(2-methylpropyl)benzene);[5-methyl-2-(2-methylpropyl)phenyl]methanol;2-methyl-5-(2-methylpropyl)thiophene;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol;pentafluoro-[2-(4-fluorophenyl)-3-methylbutoxy]-λ6-sulfane;pentafluoro-[4-(2-methylpropyl)phenyl]-λ6-sulfane;1,2,3-trifluoro-5-propan-2-ylbenzene with MolForge

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Launch Full Analysis

Related Compounds

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
O-(4-methoxyphenyl) 2,2-dimethylpropanethioate;O-(7-methylisoquinolin-5-yl) 2,2-dimethylpropanethioate;bis(O-phenyl 2,2-dimethylpropanethioate);O-(3-propan-2-ylthiophen-2-yl) 2,2-dimethylpropanethioate
CID 159579209
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
1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(2-methylpropyl)benzene;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;tris(3-methyl-2-(4-methylphenyl)butan-1-ol);bis(1-methyl-4-(2-methylpropyl)benzene);2-methyl-5-(2-methylpropyl)thiophene;3-methyl-2-[3-(pentafluoro-lambda6-sulfanyl)oxyphenyl]butan-1-ol;trimethyl-[4-(2-methylpropyl)phenyl]silane
CID 160627486
1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(2-methylpropyl)benzene;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);bis(1-methyl-4-(2-methylpropyl)benzene);2-methyl-5-(2-methylpropyl)thiophene
CID 160791137
5-tert-butyl-2,3-difluoropyridine;3-tert-butyl-5-fluoropyridine;bis(1-tert-butyl-4-methylbenzene);2-tert-butyl-5-methylthiophene;(3-tert-butylphenoxy)-pentafluoro-lambda6-sulfane;(3-tert-butylphenyl)-pentafluoro-lambda6-sulfane;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-3-methyl-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene
CID 161153444
1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;2,3-difluoro-5-(3-methylbutan-2-yl)pyridine;1,3-difluoro-2-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-2-methyl-5-(2-methylpentan-3-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1,3-difluoro-5-(2-methylpropyl)benzene;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);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;1-methyl-4-(3-methylbutan-2-yl)benzene;2-methyl-5-(3-methylbutan-2-yl)thiophene;1-methyl-4-(2-methylpentan-3-yl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene
CID 161872274
2-(2-fluoro-3-methoxyphenyl)-3,4-dihydro-2H-chromen-6-ol;2-(5-fluoro-3-pyridinyl)-3,4-dihydro-2H-chromen-6-ol;7-methyl-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-ol;3-methyl-2-phenyl-3,4-dihydro-2H-chromen-6-ol;2-thiophen-3-yl-3,4-dihydro-2H-chromen-6-ol
CID 161964666

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;1-tert-butyl-4-fluorobenzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1,3-difluoro-5-propan-2-ylbenzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;3-methyl-2-(4-methylphenyl)butan-1-ol;bis(1-methyl-4-(2-methylpropyl)benzene);[5-methyl-2-(2-methylpropyl)phenyl]methanol;2-methyl-5-(2-methylpropyl)thiophene;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol;pentafluoro-[2-(4-fluorophenyl)-3-methylbutoxy]-λ6-sulfane;pentafluoro-[4-(2-methylpropyl)phenyl]-λ6-sulfane;1,2,3-trifluoro-5-propan-2-ylbenzene?
The IUPAC name of tert-butylbenzene;1-tert-butyl-4-fluorobenzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1,3-difluoro-5-propan-2-ylbenzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;3-methyl-2-(4-methylphenyl)butan-1-ol;bis(1-methyl-4-(2-methylpropyl)benzene);[5-methyl-2-(2-methylpropyl)phenyl]methanol;2-methyl-5-(2-methylpropyl)thiophene;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol;pentafluoro-[2-(4-fluorophenyl)-3-methylbutoxy]-λ6-sulfane;pentafluoro-[4-(2-methylpropyl)phenyl]-λ6-sulfane;1,2,3-trifluoro-5-propan-2-ylbenzene (CID 158974387) is tert-butylbenzene;1-tert-butyl-4-fluorobenzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1,3-difluoro-5-propan-2-ylbenzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;3-methyl-2-(4-methylphenyl)butan-1-ol;bis(1-methyl-4-(2-methylpropyl)benzene);[5-methyl-2-(2-methylpropyl)phenyl]methanol;2-methyl-5-(2-methylpropyl)thiophene;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol;pentafluoro-[2-(4-fluorophenyl)-3-methylbutoxy]-λ6-sulfane;pentafluoro-[4-(2-methylpropyl)phenyl]-λ6-sulfane;1,2,3-trifluoro-5-propan-2-ylbenzene.
What is the SMILES notation for tert-butylbenzene;1-tert-butyl-4-fluorobenzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1,3-difluoro-5-propan-2-ylbenzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;3-methyl-2-(4-methylphenyl)butan-1-ol;bis(1-methyl-4-(2-methylpropyl)benzene);[5-methyl-2-(2-methylpropyl)phenyl]methanol;2-methyl-5-(2-methylpropyl)thiophene;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol;pentafluoro-[2-(4-fluorophenyl)-3-methylbutoxy]-λ6-sulfane;pentafluoro-[4-(2-methylpropyl)phenyl]-λ6-sulfane;1,2,3-trifluoro-5-propan-2-ylbenzene?
The canonical SMILES for tert-butylbenzene;1-tert-butyl-4-fluorobenzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1,3-difluoro-5-propan-2-ylbenzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;3-methyl-2-(4-methylphenyl)butan-1-ol;bis(1-methyl-4-(2-methylpropyl)benzene);[5-methyl-2-(2-methylpropyl)phenyl]methanol;2-methyl-5-(2-methylpropyl)thiophene;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol;pentafluoro-[2-(4-fluorophenyl)-3-methylbutoxy]-λ6-sulfane;pentafluoro-[4-(2-methylpropyl)phenyl]-λ6-sulfane;1,2,3-trifluoro-5-propan-2-ylbenzene is C.C.C.C.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccccc1.CC(C)C(CO)c1ccc(S(F)(F)(F)(F)F)cc1.CC(C)C(CO)c1cccc(OS(F)(F)(F)(F)F)c1.CC(C)C(COS(F)(F)(F)(F)F)c1ccc(F)cc1.CC(C)C1CCOc2ccc(F)cc21.CC(C)Cc1ccc(S(F)(F)(F)(F)F)cc1.CC(C)Cc1cnc(F)c(F)c1.CC(C)c1cc(F)c(F)c(F)c1.CC(C)c1cc(F)cc(F)c1.Cc1cc(C(CO)C(C)C)cc(F)c1F.Cc1cc(F)cc(C(CO)C(C)C)c1.Cc1ccc(C(CO)C(C)C)cc1.Cc1ccc(CC(C)C)c(CO)c1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)s1.Cc1cccc(C(CO)C(C)C)c1.
What is the InChIKey of tert-butylbenzene;1-tert-butyl-4-fluorobenzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1,3-difluoro-5-propan-2-ylbenzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;3-methyl-2-(4-methylphenyl)butan-1-ol;bis(1-methyl-4-(2-methylpropyl)benzene);[5-methyl-2-(2-methylpropyl)phenyl]methanol;2-methyl-5-(2-methylpropyl)thiophene;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol;pentafluoro-[2-(4-fluorophenyl)-3-methylbutoxy]-λ6-sulfane;pentafluoro-[4-(2-methylpropyl)phenyl]-λ6-sulfane;1,2,3-trifluoro-5-propan-2-ylbenzene?
The InChIKey is JOEYIDJNFCVJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O.C12H15FO.C12H17FO.3C12H18O.C11H14F6OS.C11H15F5O2S.C11H15F5OS.2C11H16.C10H13F5S.C10H13F.C10H14.C9H9F3.C9H11F2N.C9H10F2.C9H14S.4CH4/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;1-9(2)12(8-13)11-6-4-10(3)5-7-11;1-9(2)6-11-5-4-10(3)7-12(11)8-13;1-9(2)12(8-13)11-6-4-5-10(3)7-11;1-8(2)11(7-18-19(13,14,15,16)17)9-3-5-10(12)6-4-9;1-8(2)11(7-17)9-4-3-5-10(6-9)18-19(12,13,14,15)16;1-8(2)11(7-17)9-3-5-10(6-4-9)18(12,13,14,15)16;2*1-9(2)8-11-6-4-10(3)5-7-11;1-8(2)7-9-3-5-10(6-4-9)16(11,12,13,14)15;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)9-7-5-4-6-8-9;1-5(2)6-3-7(10)9(12)8(11)4-6;1-6(2)3-7-4-8(10)9(11)12-5-7;1-6(2)7-3-8(10)5-9(11)4-7;1-7(2)6-9-5-4-8(3)10-9;;;;/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;4-7,9,12-13H,8H2,1-3H3;4-5,7,9,13H,6,8H2,1-3H3;4-7,9,12-13H,8H2,1-3H3;3-6,8,11H,7H2,1-2H3;3-6,8,11,17H,7H2,1-2H3;3-6,8,11,17H,7H2,1-2H3;2*4-7,9H,8H2,1-3H3;3-6,8H,7H2,1-2H3;4-7H,1-3H3;4-8H,1-3H3;3-5H,1-2H3;4-6H,3H2,1-2H3;3-6H,1-2H3;4-5,7H,6H2,1-3H3;4*1H4.
What are the key properties of tert-butylbenzene;1-tert-butyl-4-fluorobenzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1,3-difluoro-5-propan-2-ylbenzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;3-methyl-2-(4-methylphenyl)butan-1-ol;bis(1-methyl-4-(2-methylpropyl)benzene);[5-methyl-2-(2-methylpropyl)phenyl]methanol;2-methyl-5-(2-methylpropyl)thiophene;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol;pentafluoro-[2-(4-fluorophenyl)-3-methylbutoxy]-λ6-sulfane;pentafluoro-[4-(2-methylpropyl)phenyl]-λ6-sulfane;1,2,3-trifluoro-5-propan-2-ylbenzene?
tert-butylbenzene;1-tert-butyl-4-fluorobenzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1,3-difluoro-5-propan-2-ylbenzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;3-methyl-2-(4-methylphenyl)butan-1-ol;bis(1-methyl-4-(2-methylpropyl)benzene);[5-methyl-2-(2-methylpropyl)phenyl]methanol;2-methyl-5-(2-methylpropyl)thiophene;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol;pentafluoro-[2-(4-fluorophenyl)-3-methylbutoxy]-λ6-sulfane;pentafluoro-[4-(2-methylpropyl)phenyl]-λ6-sulfane;1,2,3-trifluoro-5-propan-2-ylbenzene has a molecular weight of 3607.66 g/mol, XLogP of 65.95, 43 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;1-tert-butyl-4-fluorobenzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1,3-difluoro-5-propan-2-ylbenzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;3-methyl-2-(4-methylphenyl)butan-1-ol;bis(1-methyl-4-(2-methylpropyl)benzene);[5-methyl-2-(2-methylpropyl)phenyl]methanol;2-methyl-5-(2-methylpropyl)thiophene;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol;pentafluoro-[2-(4-fluorophenyl)-3-methylbutoxy]-λ6-sulfane;pentafluoro-[4-(2-methylpropyl)phenyl]-λ6-sulfane;1,2,3-trifluoro-5-propan-2-ylbenzene is sourced from PubChem (CID 158974387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).