1-chloro-3-fluoro-5-(3-methylbutan-2-yl)benzene;1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-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;2-fluoro-1-methyl-4-(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;3-methylbutan-2-ylbenzene;1-methyl-4-(3-methylbutan-2-yl)benzene;2-methyl-5-(3-methylbutan-2-yl)thiophene;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);1-methyl-4-(2-methylpropyl)benzene;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol;2-methylpropylbenzene;pentafluoro-[4-(3-methylbutan-2-yl)phenyl]-λ6-sulfane;trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane

C208H296Cl2F20O6S3Si — CID 159663762

IUPAC1-chloro-3-fluoro-5-(3-methylbutan-2-yl)benzene;1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-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;2-fluoro-1-methyl-4-(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;3-methylbutan-2-ylbenzene;1-methyl-4-(3-methylbutan-2-yl)benzene;2-methyl-5-(3-methylbutan-2-yl)thiophene;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);1-methyl-4-(2-methylpropyl)benzene;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol;2-methylpropylbenzene;pentafluoro-[4-(3-methylbutan-2-yl)phenyl]-λ6-sulfane;trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane
SMILESCC(C)C(C)c1cc(F)cc(Cl)c1.CC(C)C(C)c1cc(F)cc(F)c1.CC(C)C(C)c1ccc(S(F)(F)(F)(F)F)cc1.CC(C)C(C)c1ccc([Si](C)(C)C)cc1.CC(C)C(C)c1ccccc1.CC(C)C(CO)c1cccc(S(F)(F)(F)(F)F)c1.CC(C)C1CCOc2ccc(F)cc21.CC(C)Cc1ccccc1.Cc1c(F)cc(C(C)C(C)C)cc1F.Cc1cc(C(CO)C(C)C)cc(F)c1F.Cc1cc(Cl)cc(C(C)C(C)C)c1.Cc1cc(F)cc(C(CO)C(C)C)c1.Cc1ccc(C(C)C(C)C)cc1.Cc1ccc(C(C)C(C)C)cc1F.Cc1ccc(C(C)C(C)C)s1.Cc1ccc(C(CO)C(C)C)cc1.Cc1ccc(C(CO)C(C)C)cc1.Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C14H24Si.C12H17Cl.C12H16F2O.C12H16F2.C12H15FO.C12H17FO.C12H17F.2C12H18O.C12H18.C11H14ClF.C11H15F5OS.C11H15F5S.C11H14F2.2C11H16.C10H16S.C10H14/c1-11(2)12(3)13-7-9-14(10-8-13)15(4,5)6;1-8(2)10(4)11-5-9(3)6-12(13)7-11;1-7(2)10(6-15)9-4-8(3)12(14)11(13)5-9;1-7(2)8(3)10-5-11(13)9(4)12(14)6-10;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)10(4)11-6-5-9(3)12(13)7-11;2*1-9(2)12(8-13)11-6-4-10(3)5-7-11;1-9(2)11(4)12-7-5-10(3)6-8-12;1-7(2)8(3)9-4-10(12)6-11(13)5-9;1-8(2)11(7-17)9-4-3-5-10(6-9)18(12,13,14,15)16;1-8(2)9(3)10-4-6-11(7-5-10)17(12,13,14,15)16;1-7(2)8(3)9-4-10(12)6-11(13)5-9;1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)10(3)11-7-5-4-6-8-11;1-7(2)9(4)10-6-5-8(3)11-10;1-9(2)8-10-6-4-3-5-7-10/h7-12H,1-6H3;5-8,10H,1-4H3;4-5,7,10,15H,6H2,1-3H3;5-8H,1-4H3;3-4,7-8,10H,5-6H2,1-2H3;4-6,8,12,14H,7H2,1-3H3;5-8,10H,1-4H3;2*4-7,9,12-13H,8H2,1-3H3;5-9,11H,1-4H3;4-8H,1-3H3;3-6,8,11,17H,7H2,1-2H3;4-9H,1-3H3;4-8H,1-3H3;4-7,9H,8H2,1-3H3;4-10H,1-3H3;5-7,9H,1-4H3;3-7,9H,8H2,1-2H3
InChIKeyMTDIUHHSTLTVPF-UHFFFAOYSA-N
MW3467.80 g/mol
LogP67.24
Rot. Bonds43

About 1-chloro-3-fluoro-5-(3-methylbutan-2-yl)benzene;1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-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;2-fluoro-1-methyl-4-(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;3-methylbutan-2-ylbenzene;1-methyl-4-(3-methylbutan-2-yl)benzene;2-methyl-5-(3-methylbutan-2-yl)thiophene;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);1-methyl-4-(2-methylpropyl)benzene;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol;2-methylpropylbenzene;pentafluoro-[4-(3-methylbutan-2-yl)phenyl]-λ6-sulfane;trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane

1-chloro-3-fluoro-5-(3-methylbutan-2-yl)benzene;1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-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;2-fluoro-1-methyl-4-(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;3-methylbutan-2-ylbenzene;1-methyl-4-(3-methylbutan-2-yl)benzene;2-methyl-5-(3-methylbutan-2-yl)thiophene;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);1-methyl-4-(2-methylpropyl)benzene;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol;2-methylpropylbenzene;pentafluoro-[4-(3-methylbutan-2-yl)phenyl]-λ6-sulfane;trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane (PubChem CID 159663762) has the molecular formula C208H296Cl2F20O6S3Si and a molecular weight of 3467.80 g/mol. Its IUPAC name is 1-chloro-3-fluoro-5-(3-methylbutan-2-yl)benzene;1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-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;2-fluoro-1-methyl-4-(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;3-methylbutan-2-ylbenzene;1-methyl-4-(3-methylbutan-2-yl)benzene;2-methyl-5-(3-methylbutan-2-yl)thiophene;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);1-methyl-4-(2-methylpropyl)benzene;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol;2-methylpropylbenzene;pentafluoro-[4-(3-methylbutan-2-yl)phenyl]-λ6-sulfane;trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane.

Molecular Properties

Compound Name1-chloro-3-fluoro-5-(3-methylbutan-2-yl)benzene;1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-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;2-fluoro-1-methyl-4-(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;3-methylbutan-2-ylbenzene;1-methyl-4-(3-methylbutan-2-yl)benzene;2-methyl-5-(3-methylbutan-2-yl)thiophene;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);1-methyl-4-(2-methylpropyl)benzene;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol;2-methylpropylbenzene;pentafluoro-[4-(3-methylbutan-2-yl)phenyl]-λ6-sulfane;trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane
PubChem CID159663762
Molecular FormulaC208H296Cl2F20O6S3Si
Molecular Weight3467.80 g/mol
Exact Mass3464.08
IUPAC Name1-chloro-3-fluoro-5-(3-methylbutan-2-yl)benzene;1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-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;2-fluoro-1-methyl-4-(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;3-methylbutan-2-ylbenzene;1-methyl-4-(3-methylbutan-2-yl)benzene;2-methyl-5-(3-methylbutan-2-yl)thiophene;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);1-methyl-4-(2-methylpropyl)benzene;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol;2-methylpropylbenzene;pentafluoro-[4-(3-methylbutan-2-yl)phenyl]-λ6-sulfane;trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane
SMILESCC(C)C(C)c1cc(F)cc(Cl)c1.CC(C)C(C)c1cc(F)cc(F)c1.CC(C)C(C)c1ccc(S(F)(F)(F)(F)F)cc1.CC(C)C(C)c1ccc([Si](C)(C)C)cc1.CC(C)C(C)c1ccccc1.CC(C)C(CO)c1cccc(S(F)(F)(F)(F)F)c1.CC(C)C1CCOc2ccc(F)cc21.CC(C)Cc1ccccc1.Cc1c(F)cc(C(C)C(C)C)cc1F.Cc1cc(C(CO)C(C)C)cc(F)c1F.Cc1cc(Cl)cc(C(C)C(C)C)c1.Cc1cc(F)cc(C(CO)C(C)C)c1.Cc1ccc(C(C)C(C)C)cc1.Cc1ccc(C(C)C(C)C)cc1F.Cc1ccc(C(C)C(C)C)s1.Cc1ccc(C(CO)C(C)C)cc1.Cc1ccc(C(CO)C(C)C)cc1.Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C14H24Si.C12H17Cl.C12H16F2O.C12H16F2.C12H15FO.C12H17FO.C12H17F.2C12H18O.C12H18.C11H14ClF.C11H15F5OS.C11H15F5S.C11H14F2.2C11H16.C10H16S.C10H14/c1-11(2)12(3)13-7-9-14(10-8-13)15(4,5)6;1-8(2)10(4)11-5-9(3)6-12(13)7-11;1-7(2)10(6-15)9-4-8(3)12(14)11(13)5-9;1-7(2)8(3)10-5-11(13)9(4)12(14)6-10;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)10(4)11-6-5-9(3)12(13)7-11;2*1-9(2)12(8-13)11-6-4-10(3)5-7-11;1-9(2)11(4)12-7-5-10(3)6-8-12;1-7(2)8(3)9-4-10(12)6-11(13)5-9;1-8(2)11(7-17)9-4-3-5-10(6-9)18(12,13,14,15)16;1-8(2)9(3)10-4-6-11(7-5-10)17(12,13,14,15)16;1-7(2)8(3)9-4-10(12)6-11(13)5-9;1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)10(3)11-7-5-4-6-8-11;1-7(2)9(4)10-6-5-8(3)11-10;1-9(2)8-10-6-4-3-5-7-10/h7-12H,1-6H3;5-8,10H,1-4H3;4-5,7,10,15H,6H2,1-3H3;5-8H,1-4H3;3-4,7-8,10H,5-6H2,1-2H3;4-6,8,12,14H,7H2,1-3H3;5-8,10H,1-4H3;2*4-7,9,12-13H,8H2,1-3H3;5-9,11H,1-4H3;4-8H,1-3H3;3-6,8,11,17H,7H2,1-2H3;4-9H,1-3H3;4-8H,1-3H3;4-7,9H,8H2,1-3H3;4-10H,1-3H3;5-7,9H,1-4H3;3-7,9H,8H2,1-2H3
InChIKeyMTDIUHHSTLTVPF-UHFFFAOYSA-N
XLogP67.24
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds43
Heavy Atoms240
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003467.80
LogP ≤ 567.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-chloro-3-fluoro-5-(3-methylbutan-2-yl)benzene;1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-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;2-fluoro-1-methyl-4-(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;3-methylbutan-2-ylbenzene;1-methyl-4-(3-methylbutan-2-yl)benzene;2-methyl-5-(3-methylbutan-2-yl)thiophene;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);1-methyl-4-(2-methylpropyl)benzene;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol;2-methylpropylbenzene;pentafluoro-[4-(3-methylbutan-2-yl)phenyl]-λ6-sulfane;trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane with MolForge

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Related Compounds

1,3-difluoro-2-methyl-5-(3-methylbutan-2-yl)benzene;3-methylbutan-2-ylbenzene;1-methyl-4-(3-methylbutan-2-yl)benzene;3-methyl-2-(4-methylphenyl)butan-1-ol;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;3-methyl-2-(3,4,5-trifluorophenyl)butan-1-ol
CID 160782484
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-λ6-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]-λ6-sulfane
CID 158706892
2-chloro-1-methyl-4-propan-2-ylbenzene;cumene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine
CID 159912732
2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine
CID 65411645
2-chloro-1-methyl-4-propan-2-ylbenzene;cumene;1-(difluoromethoxy)-3-propan-2-ylbenzene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-(1-fluoroethyl)-3-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 160828453
6-benzyl-4-propan-2-yl-3,4-dihydro-2H-chromene;6-benzyl-4-propan-2-yl-3,4-dihydro-2H-thiochromene;ethane
CID 142306887
1-methyl-4-(3-methylbutan-2-yl)benzene;3-methyl-2-(4-methylphenyl)butan-1-ol;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;pentafluoro-[3-methyl-2-(4-methylphenyl)butoxy]-λ6-sulfane
CID 160557119
[3,4-dihydro-2H-chromen-4-yl-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105233881
1,2-difluoro-4-methylbenzene;1,3-difluoro-2-methylbenzene;1,3-difluoro-5-methylbenzene;2,4-difluoro-1-methylbenzene;1-(difluoromethyl)-3-methylbenzene;1-fluoro-4-methylbenzene;1-methyl-4-(trifluoromethyl)benzene;1,3,5-trifluoro-2-methylbenzene
CID 158653499
2-[chloro-(3-fluorophenyl)methyl]-5-methylthiophene
CID 61082525
[1-(3,4-dihydro-2H-chromen-4-yl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105233739
2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 65409768

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-5-(3-methylbutan-2-yl)benzene;1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-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;2-fluoro-1-methyl-4-(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;3-methylbutan-2-ylbenzene;1-methyl-4-(3-methylbutan-2-yl)benzene;2-methyl-5-(3-methylbutan-2-yl)thiophene;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);1-methyl-4-(2-methylpropyl)benzene;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol;2-methylpropylbenzene;pentafluoro-[4-(3-methylbutan-2-yl)phenyl]-λ6-sulfane;trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane?
The IUPAC name of 1-chloro-3-fluoro-5-(3-methylbutan-2-yl)benzene;1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-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;2-fluoro-1-methyl-4-(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;3-methylbutan-2-ylbenzene;1-methyl-4-(3-methylbutan-2-yl)benzene;2-methyl-5-(3-methylbutan-2-yl)thiophene;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);1-methyl-4-(2-methylpropyl)benzene;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol;2-methylpropylbenzene;pentafluoro-[4-(3-methylbutan-2-yl)phenyl]-λ6-sulfane;trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane (CID 159663762) is 1-chloro-3-fluoro-5-(3-methylbutan-2-yl)benzene;1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-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;2-fluoro-1-methyl-4-(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;3-methylbutan-2-ylbenzene;1-methyl-4-(3-methylbutan-2-yl)benzene;2-methyl-5-(3-methylbutan-2-yl)thiophene;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);1-methyl-4-(2-methylpropyl)benzene;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol;2-methylpropylbenzene;pentafluoro-[4-(3-methylbutan-2-yl)phenyl]-λ6-sulfane;trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane.
What is the SMILES notation for 1-chloro-3-fluoro-5-(3-methylbutan-2-yl)benzene;1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-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;2-fluoro-1-methyl-4-(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;3-methylbutan-2-ylbenzene;1-methyl-4-(3-methylbutan-2-yl)benzene;2-methyl-5-(3-methylbutan-2-yl)thiophene;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);1-methyl-4-(2-methylpropyl)benzene;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol;2-methylpropylbenzene;pentafluoro-[4-(3-methylbutan-2-yl)phenyl]-λ6-sulfane;trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane?
The canonical SMILES for 1-chloro-3-fluoro-5-(3-methylbutan-2-yl)benzene;1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-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;2-fluoro-1-methyl-4-(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;3-methylbutan-2-ylbenzene;1-methyl-4-(3-methylbutan-2-yl)benzene;2-methyl-5-(3-methylbutan-2-yl)thiophene;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);1-methyl-4-(2-methylpropyl)benzene;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol;2-methylpropylbenzene;pentafluoro-[4-(3-methylbutan-2-yl)phenyl]-λ6-sulfane;trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane is CC(C)C(C)c1cc(F)cc(Cl)c1.CC(C)C(C)c1cc(F)cc(F)c1.CC(C)C(C)c1ccc(S(F)(F)(F)(F)F)cc1.CC(C)C(C)c1ccc([Si](C)(C)C)cc1.CC(C)C(C)c1ccccc1.CC(C)C(CO)c1cccc(S(F)(F)(F)(F)F)c1.CC(C)C1CCOc2ccc(F)cc21.CC(C)Cc1ccccc1.Cc1c(F)cc(C(C)C(C)C)cc1F.Cc1cc(C(CO)C(C)C)cc(F)c1F.Cc1cc(Cl)cc(C(C)C(C)C)c1.Cc1cc(F)cc(C(CO)C(C)C)c1.Cc1ccc(C(C)C(C)C)cc1.Cc1ccc(C(C)C(C)C)cc1F.Cc1ccc(C(C)C(C)C)s1.Cc1ccc(C(CO)C(C)C)cc1.Cc1ccc(C(CO)C(C)C)cc1.Cc1ccc(CC(C)C)cc1.
What is the InChIKey of 1-chloro-3-fluoro-5-(3-methylbutan-2-yl)benzene;1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-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;2-fluoro-1-methyl-4-(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;3-methylbutan-2-ylbenzene;1-methyl-4-(3-methylbutan-2-yl)benzene;2-methyl-5-(3-methylbutan-2-yl)thiophene;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);1-methyl-4-(2-methylpropyl)benzene;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol;2-methylpropylbenzene;pentafluoro-[4-(3-methylbutan-2-yl)phenyl]-λ6-sulfane;trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane?
The InChIKey is MTDIUHHSTLTVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24Si.C12H17Cl.C12H16F2O.C12H16F2.C12H15FO.C12H17FO.C12H17F.2C12H18O.C12H18.C11H14ClF.C11H15F5OS.C11H15F5S.C11H14F2.2C11H16.C10H16S.C10H14/c1-11(2)12(3)13-7-9-14(10-8-13)15(4,5)6;1-8(2)10(4)11-5-9(3)6-12(13)7-11;1-7(2)10(6-15)9-4-8(3)12(14)11(13)5-9;1-7(2)8(3)10-5-11(13)9(4)12(14)6-10;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)10(4)11-6-5-9(3)12(13)7-11;2*1-9(2)12(8-13)11-6-4-10(3)5-7-11;1-9(2)11(4)12-7-5-10(3)6-8-12;1-7(2)8(3)9-4-10(12)6-11(13)5-9;1-8(2)11(7-17)9-4-3-5-10(6-9)18(12,13,14,15)16;1-8(2)9(3)10-4-6-11(7-5-10)17(12,13,14,15)16;1-7(2)8(3)9-4-10(12)6-11(13)5-9;1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)10(3)11-7-5-4-6-8-11;1-7(2)9(4)10-6-5-8(3)11-10;1-9(2)8-10-6-4-3-5-7-10/h7-12H,1-6H3;5-8,10H,1-4H3;4-5,7,10,15H,6H2,1-3H3;5-8H,1-4H3;3-4,7-8,10H,5-6H2,1-2H3;4-6,8,12,14H,7H2,1-3H3;5-8,10H,1-4H3;2*4-7,9,12-13H,8H2,1-3H3;5-9,11H,1-4H3;4-8H,1-3H3;3-6,8,11,17H,7H2,1-2H3;4-9H,1-3H3;4-8H,1-3H3;4-7,9H,8H2,1-3H3;4-10H,1-3H3;5-7,9H,1-4H3;3-7,9H,8H2,1-2H3.
What are the key properties of 1-chloro-3-fluoro-5-(3-methylbutan-2-yl)benzene;1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-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;2-fluoro-1-methyl-4-(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;3-methylbutan-2-ylbenzene;1-methyl-4-(3-methylbutan-2-yl)benzene;2-methyl-5-(3-methylbutan-2-yl)thiophene;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);1-methyl-4-(2-methylpropyl)benzene;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol;2-methylpropylbenzene;pentafluoro-[4-(3-methylbutan-2-yl)phenyl]-λ6-sulfane;trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane?
1-chloro-3-fluoro-5-(3-methylbutan-2-yl)benzene;1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-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;2-fluoro-1-methyl-4-(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;3-methylbutan-2-ylbenzene;1-methyl-4-(3-methylbutan-2-yl)benzene;2-methyl-5-(3-methylbutan-2-yl)thiophene;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);1-methyl-4-(2-methylpropyl)benzene;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol;2-methylpropylbenzene;pentafluoro-[4-(3-methylbutan-2-yl)phenyl]-λ6-sulfane;trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane has a molecular weight of 3467.80 g/mol, XLogP of 67.24, 43 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluoro-5-(3-methylbutan-2-yl)benzene;1-chloro-3-methyl-5-(3-methylbutan-2-yl)benzene;1,3-difluoro-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;2-fluoro-1-methyl-4-(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;3-methylbutan-2-ylbenzene;1-methyl-4-(3-methylbutan-2-yl)benzene;2-methyl-5-(3-methylbutan-2-yl)thiophene;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);1-methyl-4-(2-methylpropyl)benzene;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol;2-methylpropylbenzene;pentafluoro-[4-(3-methylbutan-2-yl)phenyl]-λ6-sulfane;trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane is sourced from PubChem (CID 159663762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).