1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-3-fluorobenzene;1-tert-butyl-3-chloro-2-fluorobenzene;8-tert-butyl-1-chloro-2-fluoronaphthalene;1-tert-butyl-3-chloro-2-methylbenzene;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-3-chloro-2-(trifluoromethyl)benzene;3-tert-butyl-5-chloro-4-(trifluoromethyl)pyridine;1-tert-butyl-2,3-dichlorobenzene;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;1-tert-butyl-3-fluoro-2-methylbenzene;1-tert-butyl-3-fluoro-2-(trifluoromethyl)benzene;1-tert-butyl-2-methylbenzene;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-1-methyl-2,3-dihydroindole;1-tert-butyl-8-methylnaphthalene;1-tert-butyl-3-methyl-2-(trifluoromethyl)benzene;1-tert-butylnaphthalene;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine;3-tert-butyl-4-(trifluoromethyl)pyridine

C253H313Cl10F28N5O — CID 158669019

IUPAC1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-3-fluorobenzene;1-tert-butyl-3-chloro-2-fluorobenzene;8-tert-butyl-1-chloro-2-fluoronaphthalene;1-tert-butyl-3-chloro-2-methylbenzene;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-3-chloro-2-(trifluoromethyl)benzene;3-tert-butyl-5-chloro-4-(trifluoromethyl)pyridine;1-tert-butyl-2,3-dichlorobenzene;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;1-tert-butyl-3-fluoro-2-methylbenzene;1-tert-butyl-3-fluoro-2-(trifluoromethyl)benzene;1-tert-butyl-2-methylbenzene;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-1-methyl-2,3-dihydroindole;1-tert-butyl-8-methylnaphthalene;1-tert-butyl-3-methyl-2-(trifluoromethyl)benzene;1-tert-butylnaphthalene;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine;3-tert-butyl-4-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1cccc(Cl)c1C(F)(F)F.CC(C)(C)c1cccc(Cl)c1Cl.CC(C)(C)c1cccc(Cl)c1F.CC(C)(C)c1cccc(F)c1C(F)(F)F.CC(C)(C)c1cccc(F)c1Cl.CC(C)(C)c1cccc(F)c1F.CC(C)(C)c1cccc2ccc(F)c(Cl)c12.CC(C)(C)c1cccc2cccc(Cl)c12.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1ccccc1C(F)(F)F.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1cccnc1C(F)(F)F.CC(C)(C)c1cncc(Cl)c1C(F)(F)F.CC(C)(C)c1cnccc1C(F)(F)F.CN1CCOc2cccc(C(C)(C)C)c21.CN1CCc2cccc(C(C)(C)C)c21.Cc1c(Cl)cccc1C(C)(C)C.Cc1c(F)cccc1C(C)(C)C.Cc1cccc(C(C)(C)C)c1C.Cc1cccc(C(C)(C)C)c1C(F)(F)F.Cc1cccc2cccc(C(C)(C)C)c12.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C15H18.C14H14ClF.C14H15Cl.C14H16.C13H19NO.C13H19N.C12H15F3.C12H18.C11H12ClF3.C11H15Cl.C11H12F4.C11H13F3.C11H15F.C11H16.C10H12Cl2.C10H11ClF3N.2C10H12ClF.C10H13Cl.2C10H12F3N.C10H12F2/c1-11-7-5-8-12-9-6-10-13(14(11)12)15(2,3)4;1-14(2,3)10-6-4-5-9-7-8-11(16)13(15)12(9)10;1-14(2,3)11-8-4-6-10-7-5-9-12(15)13(10)11;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)10-6-5-7-11-12(10)14(4)8-9-15-11;1-13(2,3)11-7-5-6-10-8-9-14(4)12(10)11;1-8-6-5-7-9(11(2,3)4)10(8)12(13,14)15;1-9-7-6-8-11(10(9)2)12(3,4)5;1-10(2,3)7-5-4-6-8(12)9(7)11(13,14)15;1-8-9(11(2,3)4)6-5-7-10(8)12;1-10(2,3)7-5-4-6-8(12)9(7)11(13,14)15;1-10(2,3)8-6-4-5-7-9(8)11(12,13)14;1-8-9(11(2,3)4)6-5-7-10(8)12;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)7-5-4-6-8(11)9(7)12;1-9(2,3)6-4-15-5-7(11)8(6)10(12,13)14;1-10(2,3)7-5-4-6-8(12)9(7)11;1-10(2,3)7-5-4-6-8(11)9(7)12;1-10(2,3)8-6-4-5-7-9(8)11;1-9(2,3)8-6-14-5-4-7(8)10(11,12)13;1-9(2,3)7-5-4-6-14-8(7)10(11,12)13;1-10(2,3)7-5-4-6-8(11)9(7)12/h5-10H,1-4H3;4-8H,1-3H3;4-9H,1-3H3;4-10H,1-3H3;5-7H,8-9H2,1-4H3;5-7H,8-9H2,1-4H3;5-7H,1-4H3;6-8H,1-5H3;4-6H,1-3H3;5-7H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;5-8H,1-4H3;4-6H,1-3H3;4-5H,1-3H3;2*4-6H,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;4-6H,1-3H3
InChIKeyIDSJGJLJDHZUCV-UHFFFAOYSA-N
MW4326.79 g/mol
LogP85.07
Rot. Bonds

About 1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-3-fluorobenzene;1-tert-butyl-3-chloro-2-fluorobenzene;8-tert-butyl-1-chloro-2-fluoronaphthalene;1-tert-butyl-3-chloro-2-methylbenzene;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-3-chloro-2-(trifluoromethyl)benzene;3-tert-butyl-5-chloro-4-(trifluoromethyl)pyridine;1-tert-butyl-2,3-dichlorobenzene;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;1-tert-butyl-3-fluoro-2-methylbenzene;1-tert-butyl-3-fluoro-2-(trifluoromethyl)benzene;1-tert-butyl-2-methylbenzene;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-1-methyl-2,3-dihydroindole;1-tert-butyl-8-methylnaphthalene;1-tert-butyl-3-methyl-2-(trifluoromethyl)benzene;1-tert-butylnaphthalene;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine;3-tert-butyl-4-(trifluoromethyl)pyridine

1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-3-fluorobenzene;1-tert-butyl-3-chloro-2-fluorobenzene;8-tert-butyl-1-chloro-2-fluoronaphthalene;1-tert-butyl-3-chloro-2-methylbenzene;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-3-chloro-2-(trifluoromethyl)benzene;3-tert-butyl-5-chloro-4-(trifluoromethyl)pyridine;1-tert-butyl-2,3-dichlorobenzene;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;1-tert-butyl-3-fluoro-2-methylbenzene;1-tert-butyl-3-fluoro-2-(trifluoromethyl)benzene;1-tert-butyl-2-methylbenzene;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-1-methyl-2,3-dihydroindole;1-tert-butyl-8-methylnaphthalene;1-tert-butyl-3-methyl-2-(trifluoromethyl)benzene;1-tert-butylnaphthalene;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine;3-tert-butyl-4-(trifluoromethyl)pyridine (PubChem CID 158669019) has the molecular formula C253H313Cl10F28N5O and a molecular weight of 4326.79 g/mol. Its IUPAC name is 1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-3-fluorobenzene;1-tert-butyl-3-chloro-2-fluorobenzene;8-tert-butyl-1-chloro-2-fluoronaphthalene;1-tert-butyl-3-chloro-2-methylbenzene;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-3-chloro-2-(trifluoromethyl)benzene;3-tert-butyl-5-chloro-4-(trifluoromethyl)pyridine;1-tert-butyl-2,3-dichlorobenzene;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;1-tert-butyl-3-fluoro-2-methylbenzene;1-tert-butyl-3-fluoro-2-(trifluoromethyl)benzene;1-tert-butyl-2-methylbenzene;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-1-methyl-2,3-dihydroindole;1-tert-butyl-8-methylnaphthalene;1-tert-butyl-3-methyl-2-(trifluoromethyl)benzene;1-tert-butylnaphthalene;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine;3-tert-butyl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-3-fluorobenzene;1-tert-butyl-3-chloro-2-fluorobenzene;8-tert-butyl-1-chloro-2-fluoronaphthalene;1-tert-butyl-3-chloro-2-methylbenzene;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-3-chloro-2-(trifluoromethyl)benzene;3-tert-butyl-5-chloro-4-(trifluoromethyl)pyridine;1-tert-butyl-2,3-dichlorobenzene;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;1-tert-butyl-3-fluoro-2-methylbenzene;1-tert-butyl-3-fluoro-2-(trifluoromethyl)benzene;1-tert-butyl-2-methylbenzene;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-1-methyl-2,3-dihydroindole;1-tert-butyl-8-methylnaphthalene;1-tert-butyl-3-methyl-2-(trifluoromethyl)benzene;1-tert-butylnaphthalene;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine;3-tert-butyl-4-(trifluoromethyl)pyridine
PubChem CID158669019
Molecular FormulaC253H313Cl10F28N5O
Molecular Weight4326.79 g/mol
Exact Mass4319.10
IUPAC Name1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-3-fluorobenzene;1-tert-butyl-3-chloro-2-fluorobenzene;8-tert-butyl-1-chloro-2-fluoronaphthalene;1-tert-butyl-3-chloro-2-methylbenzene;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-3-chloro-2-(trifluoromethyl)benzene;3-tert-butyl-5-chloro-4-(trifluoromethyl)pyridine;1-tert-butyl-2,3-dichlorobenzene;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;1-tert-butyl-3-fluoro-2-methylbenzene;1-tert-butyl-3-fluoro-2-(trifluoromethyl)benzene;1-tert-butyl-2-methylbenzene;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-1-methyl-2,3-dihydroindole;1-tert-butyl-8-methylnaphthalene;1-tert-butyl-3-methyl-2-(trifluoromethyl)benzene;1-tert-butylnaphthalene;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine;3-tert-butyl-4-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1cccc(Cl)c1C(F)(F)F.CC(C)(C)c1cccc(Cl)c1Cl.CC(C)(C)c1cccc(Cl)c1F.CC(C)(C)c1cccc(F)c1C(F)(F)F.CC(C)(C)c1cccc(F)c1Cl.CC(C)(C)c1cccc(F)c1F.CC(C)(C)c1cccc2ccc(F)c(Cl)c12.CC(C)(C)c1cccc2cccc(Cl)c12.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1ccccc1C(F)(F)F.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1cccnc1C(F)(F)F.CC(C)(C)c1cncc(Cl)c1C(F)(F)F.CC(C)(C)c1cnccc1C(F)(F)F.CN1CCOc2cccc(C(C)(C)C)c21.CN1CCc2cccc(C(C)(C)C)c21.Cc1c(Cl)cccc1C(C)(C)C.Cc1c(F)cccc1C(C)(C)C.Cc1cccc(C(C)(C)C)c1C.Cc1cccc(C(C)(C)C)c1C(F)(F)F.Cc1cccc2cccc(C(C)(C)C)c12.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C15H18.C14H14ClF.C14H15Cl.C14H16.C13H19NO.C13H19N.C12H15F3.C12H18.C11H12ClF3.C11H15Cl.C11H12F4.C11H13F3.C11H15F.C11H16.C10H12Cl2.C10H11ClF3N.2C10H12ClF.C10H13Cl.2C10H12F3N.C10H12F2/c1-11-7-5-8-12-9-6-10-13(14(11)12)15(2,3)4;1-14(2,3)10-6-4-5-9-7-8-11(16)13(15)12(9)10;1-14(2,3)11-8-4-6-10-7-5-9-12(15)13(10)11;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)10-6-5-7-11-12(10)14(4)8-9-15-11;1-13(2,3)11-7-5-6-10-8-9-14(4)12(10)11;1-8-6-5-7-9(11(2,3)4)10(8)12(13,14)15;1-9-7-6-8-11(10(9)2)12(3,4)5;1-10(2,3)7-5-4-6-8(12)9(7)11(13,14)15;1-8-9(11(2,3)4)6-5-7-10(8)12;1-10(2,3)7-5-4-6-8(12)9(7)11(13,14)15;1-10(2,3)8-6-4-5-7-9(8)11(12,13)14;1-8-9(11(2,3)4)6-5-7-10(8)12;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)7-5-4-6-8(11)9(7)12;1-9(2,3)6-4-15-5-7(11)8(6)10(12,13)14;1-10(2,3)7-5-4-6-8(12)9(7)11;1-10(2,3)7-5-4-6-8(11)9(7)12;1-10(2,3)8-6-4-5-7-9(8)11;1-9(2,3)8-6-14-5-4-7(8)10(11,12)13;1-9(2,3)7-5-4-6-14-8(7)10(11,12)13;1-10(2,3)7-5-4-6-8(11)9(7)12/h5-10H,1-4H3;4-8H,1-3H3;4-9H,1-3H3;4-10H,1-3H3;5-7H,8-9H2,1-4H3;5-7H,8-9H2,1-4H3;5-7H,1-4H3;6-8H,1-5H3;4-6H,1-3H3;5-7H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;5-8H,1-4H3;4-6H,1-3H3;4-5H,1-3H3;2*4-6H,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;4-6H,1-3H3
InChIKeyIDSJGJLJDHZUCV-UHFFFAOYSA-N
XLogP85.07
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms297
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004326.79
LogP ≤ 585.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-3-fluorobenzene;1-tert-butyl-3-chloro-2-fluorobenzene;8-tert-butyl-1-chloro-2-fluoronaphthalene;1-tert-butyl-3-chloro-2-methylbenzene;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-3-chloro-2-(trifluoromethyl)benzene;3-tert-butyl-5-chloro-4-(trifluoromethyl)pyridine;1-tert-butyl-2,3-dichlorobenzene;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;1-tert-butyl-3-fluoro-2-methylbenzene;1-tert-butyl-3-fluoro-2-(trifluoromethyl)benzene;1-tert-butyl-2-methylbenzene;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-1-methyl-2,3-dihydroindole;1-tert-butyl-8-methylnaphthalene;1-tert-butyl-3-methyl-2-(trifluoromethyl)benzene;1-tert-butylnaphthalene;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine;3-tert-butyl-4-(trifluoromethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-3-fluorobenzene;1-tert-butyl-3-chloro-2-fluorobenzene;8-tert-butyl-1-chloro-2-fluoronaphthalene;1-tert-butyl-3-chloro-2-methylbenzene;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-3-chloro-2-(trifluoromethyl)benzene;3-tert-butyl-5-chloro-4-(trifluoromethyl)pyridine;1-tert-butyl-2,3-dichlorobenzene;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;1-tert-butyl-3-fluoro-2-methylbenzene;1-tert-butyl-3-fluoro-2-(trifluoromethyl)benzene;1-tert-butyl-2-methylbenzene;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-1-methyl-2,3-dihydroindole;1-tert-butyl-8-methylnaphthalene;1-tert-butyl-3-methyl-2-(trifluoromethyl)benzene;1-tert-butylnaphthalene;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine;3-tert-butyl-4-(trifluoromethyl)pyridine?
The IUPAC name of 1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-3-fluorobenzene;1-tert-butyl-3-chloro-2-fluorobenzene;8-tert-butyl-1-chloro-2-fluoronaphthalene;1-tert-butyl-3-chloro-2-methylbenzene;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-3-chloro-2-(trifluoromethyl)benzene;3-tert-butyl-5-chloro-4-(trifluoromethyl)pyridine;1-tert-butyl-2,3-dichlorobenzene;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;1-tert-butyl-3-fluoro-2-methylbenzene;1-tert-butyl-3-fluoro-2-(trifluoromethyl)benzene;1-tert-butyl-2-methylbenzene;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-1-methyl-2,3-dihydroindole;1-tert-butyl-8-methylnaphthalene;1-tert-butyl-3-methyl-2-(trifluoromethyl)benzene;1-tert-butylnaphthalene;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine;3-tert-butyl-4-(trifluoromethyl)pyridine (CID 158669019) is 1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-3-fluorobenzene;1-tert-butyl-3-chloro-2-fluorobenzene;8-tert-butyl-1-chloro-2-fluoronaphthalene;1-tert-butyl-3-chloro-2-methylbenzene;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-3-chloro-2-(trifluoromethyl)benzene;3-tert-butyl-5-chloro-4-(trifluoromethyl)pyridine;1-tert-butyl-2,3-dichlorobenzene;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;1-tert-butyl-3-fluoro-2-methylbenzene;1-tert-butyl-3-fluoro-2-(trifluoromethyl)benzene;1-tert-butyl-2-methylbenzene;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-1-methyl-2,3-dihydroindole;1-tert-butyl-8-methylnaphthalene;1-tert-butyl-3-methyl-2-(trifluoromethyl)benzene;1-tert-butylnaphthalene;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine;3-tert-butyl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-3-fluorobenzene;1-tert-butyl-3-chloro-2-fluorobenzene;8-tert-butyl-1-chloro-2-fluoronaphthalene;1-tert-butyl-3-chloro-2-methylbenzene;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-3-chloro-2-(trifluoromethyl)benzene;3-tert-butyl-5-chloro-4-(trifluoromethyl)pyridine;1-tert-butyl-2,3-dichlorobenzene;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;1-tert-butyl-3-fluoro-2-methylbenzene;1-tert-butyl-3-fluoro-2-(trifluoromethyl)benzene;1-tert-butyl-2-methylbenzene;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-1-methyl-2,3-dihydroindole;1-tert-butyl-8-methylnaphthalene;1-tert-butyl-3-methyl-2-(trifluoromethyl)benzene;1-tert-butylnaphthalene;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine;3-tert-butyl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-3-fluorobenzene;1-tert-butyl-3-chloro-2-fluorobenzene;8-tert-butyl-1-chloro-2-fluoronaphthalene;1-tert-butyl-3-chloro-2-methylbenzene;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-3-chloro-2-(trifluoromethyl)benzene;3-tert-butyl-5-chloro-4-(trifluoromethyl)pyridine;1-tert-butyl-2,3-dichlorobenzene;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;1-tert-butyl-3-fluoro-2-methylbenzene;1-tert-butyl-3-fluoro-2-(trifluoromethyl)benzene;1-tert-butyl-2-methylbenzene;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-1-methyl-2,3-dihydroindole;1-tert-butyl-8-methylnaphthalene;1-tert-butyl-3-methyl-2-(trifluoromethyl)benzene;1-tert-butylnaphthalene;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine;3-tert-butyl-4-(trifluoromethyl)pyridine is CC(C)(C)c1cccc(Cl)c1C(F)(F)F.CC(C)(C)c1cccc(Cl)c1Cl.CC(C)(C)c1cccc(Cl)c1F.CC(C)(C)c1cccc(F)c1C(F)(F)F.CC(C)(C)c1cccc(F)c1Cl.CC(C)(C)c1cccc(F)c1F.CC(C)(C)c1cccc2ccc(F)c(Cl)c12.CC(C)(C)c1cccc2cccc(Cl)c12.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1ccccc1C(F)(F)F.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1cccnc1C(F)(F)F.CC(C)(C)c1cncc(Cl)c1C(F)(F)F.CC(C)(C)c1cnccc1C(F)(F)F.CN1CCOc2cccc(C(C)(C)C)c21.CN1CCc2cccc(C(C)(C)C)c21.Cc1c(Cl)cccc1C(C)(C)C.Cc1c(F)cccc1C(C)(C)C.Cc1cccc(C(C)(C)C)c1C.Cc1cccc(C(C)(C)C)c1C(F)(F)F.Cc1cccc2cccc(C(C)(C)C)c12.Cc1ccccc1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-3-fluorobenzene;1-tert-butyl-3-chloro-2-fluorobenzene;8-tert-butyl-1-chloro-2-fluoronaphthalene;1-tert-butyl-3-chloro-2-methylbenzene;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-3-chloro-2-(trifluoromethyl)benzene;3-tert-butyl-5-chloro-4-(trifluoromethyl)pyridine;1-tert-butyl-2,3-dichlorobenzene;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;1-tert-butyl-3-fluoro-2-methylbenzene;1-tert-butyl-3-fluoro-2-(trifluoromethyl)benzene;1-tert-butyl-2-methylbenzene;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-1-methyl-2,3-dihydroindole;1-tert-butyl-8-methylnaphthalene;1-tert-butyl-3-methyl-2-(trifluoromethyl)benzene;1-tert-butylnaphthalene;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine;3-tert-butyl-4-(trifluoromethyl)pyridine?
The InChIKey is IDSJGJLJDHZUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18.C14H14ClF.C14H15Cl.C14H16.C13H19NO.C13H19N.C12H15F3.C12H18.C11H12ClF3.C11H15Cl.C11H12F4.C11H13F3.C11H15F.C11H16.C10H12Cl2.C10H11ClF3N.2C10H12ClF.C10H13Cl.2C10H12F3N.C10H12F2/c1-11-7-5-8-12-9-6-10-13(14(11)12)15(2,3)4;1-14(2,3)10-6-4-5-9-7-8-11(16)13(15)12(9)10;1-14(2,3)11-8-4-6-10-7-5-9-12(15)13(10)11;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)10-6-5-7-11-12(10)14(4)8-9-15-11;1-13(2,3)11-7-5-6-10-8-9-14(4)12(10)11;1-8-6-5-7-9(11(2,3)4)10(8)12(13,14)15;1-9-7-6-8-11(10(9)2)12(3,4)5;1-10(2,3)7-5-4-6-8(12)9(7)11(13,14)15;1-8-9(11(2,3)4)6-5-7-10(8)12;1-10(2,3)7-5-4-6-8(12)9(7)11(13,14)15;1-10(2,3)8-6-4-5-7-9(8)11(12,13)14;1-8-9(11(2,3)4)6-5-7-10(8)12;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)7-5-4-6-8(11)9(7)12;1-9(2,3)6-4-15-5-7(11)8(6)10(12,13)14;1-10(2,3)7-5-4-6-8(12)9(7)11;1-10(2,3)7-5-4-6-8(11)9(7)12;1-10(2,3)8-6-4-5-7-9(8)11;1-9(2,3)8-6-14-5-4-7(8)10(11,12)13;1-9(2,3)7-5-4-6-14-8(7)10(11,12)13;1-10(2,3)7-5-4-6-8(11)9(7)12/h5-10H,1-4H3;4-8H,1-3H3;4-9H,1-3H3;4-10H,1-3H3;5-7H,8-9H2,1-4H3;5-7H,8-9H2,1-4H3;5-7H,1-4H3;6-8H,1-5H3;4-6H,1-3H3;5-7H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;5-8H,1-4H3;4-6H,1-3H3;4-5H,1-3H3;2*4-6H,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;4-6H,1-3H3.
What are the key properties of 1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-3-fluorobenzene;1-tert-butyl-3-chloro-2-fluorobenzene;8-tert-butyl-1-chloro-2-fluoronaphthalene;1-tert-butyl-3-chloro-2-methylbenzene;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-3-chloro-2-(trifluoromethyl)benzene;3-tert-butyl-5-chloro-4-(trifluoromethyl)pyridine;1-tert-butyl-2,3-dichlorobenzene;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;1-tert-butyl-3-fluoro-2-methylbenzene;1-tert-butyl-3-fluoro-2-(trifluoromethyl)benzene;1-tert-butyl-2-methylbenzene;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-1-methyl-2,3-dihydroindole;1-tert-butyl-8-methylnaphthalene;1-tert-butyl-3-methyl-2-(trifluoromethyl)benzene;1-tert-butylnaphthalene;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine;3-tert-butyl-4-(trifluoromethyl)pyridine?
1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-3-fluorobenzene;1-tert-butyl-3-chloro-2-fluorobenzene;8-tert-butyl-1-chloro-2-fluoronaphthalene;1-tert-butyl-3-chloro-2-methylbenzene;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-3-chloro-2-(trifluoromethyl)benzene;3-tert-butyl-5-chloro-4-(trifluoromethyl)pyridine;1-tert-butyl-2,3-dichlorobenzene;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;1-tert-butyl-3-fluoro-2-methylbenzene;1-tert-butyl-3-fluoro-2-(trifluoromethyl)benzene;1-tert-butyl-2-methylbenzene;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-1-methyl-2,3-dihydroindole;1-tert-butyl-8-methylnaphthalene;1-tert-butyl-3-methyl-2-(trifluoromethyl)benzene;1-tert-butylnaphthalene;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine;3-tert-butyl-4-(trifluoromethyl)pyridine has a molecular weight of 4326.79 g/mol, XLogP of 85.07, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-3-fluorobenzene;1-tert-butyl-3-chloro-2-fluorobenzene;8-tert-butyl-1-chloro-2-fluoronaphthalene;1-tert-butyl-3-chloro-2-methylbenzene;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-3-chloro-2-(trifluoromethyl)benzene;3-tert-butyl-5-chloro-4-(trifluoromethyl)pyridine;1-tert-butyl-2,3-dichlorobenzene;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;1-tert-butyl-3-fluoro-2-methylbenzene;1-tert-butyl-3-fluoro-2-(trifluoromethyl)benzene;1-tert-butyl-2-methylbenzene;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-1-methyl-2,3-dihydroindole;1-tert-butyl-8-methylnaphthalene;1-tert-butyl-3-methyl-2-(trifluoromethyl)benzene;1-tert-butylnaphthalene;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine;3-tert-butyl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 158669019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).