1-bromo-4-tert-butylbenzene;tert-butylbenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyridine;4-tert-butyl-1,2-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-4-isocyanobenzene;4-tert-butyl-2-fluoro-1-isocyanobenzene;5-tert-butyl-2-fluoropyridine;1-tert-butyl-2-isocyanobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;bis(1-tert-butyl-4-isocyano-2-methylbenzene);bis(4-tert-butyl-1-isocyano-2-methylbenzene);1-tert-butyl-4-methylbenzene;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene

C251H316BrCl6F13N14O — CID 161141334

IUPAC1-bromo-4-tert-butylbenzene;tert-butylbenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyridine;4-tert-butyl-1,2-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-4-isocyanobenzene;4-tert-butyl-2-fluoro-1-isocyanobenzene;5-tert-butyl-2-fluoropyridine;1-tert-butyl-2-isocyanobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;bis(1-tert-butyl-4-isocyano-2-methylbenzene);bis(4-tert-butyl-1-isocyano-2-methylbenzene);1-tert-butyl-4-methylbenzene;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene
SMILESCC(C)(C)c1ccc(Br)cc1.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(Cl)c(Cl)c1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(Cl)nc1.CC(C)(C)c1ccc(F)c(Cl)c1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(F)nc1.CC(C)(C)c1ccc(OC(F)(F)F)cc1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1Cl.CC(C)(C)c1ccncc1.Cc1ccc(C(C)(C)C)cc1.[C-]#[N+]c1ccc(C(C)(C)C)c(C)c1.[C-]#[N+]c1ccc(C(C)(C)C)c(C)c1.[C-]#[N+]c1ccc(C(C)(C)C)c(F)c1.[C-]#[N+]c1ccc(C(C)(C)C)cc1.[C-]#[N+]c1ccc(C(C)(C)C)cc1C.[C-]#[N+]c1ccc(C(C)(C)C)cc1C.[C-]#[N+]c1ccc(C(C)(C)C)cc1F.[C-]#[N+]c1cccc(C(C)(C)C)c1.[C-]#[N+]c1ccccc1C(C)(C)C
InChIInChI=1S/4C12H15N.C11H13F3O.C11H13F3.2C11H12FN.3C11H13N.C11H16.C10H13Br.C10H12Cl2.C10H12ClF.C10H13Cl.C10H12F2.C10H13F.C10H14.2C9H12ClN.C9H12FN.2C9H13N/c2*1-9-8-10(13-5)6-7-11(9)12(2,3)4;2*1-9-8-10(12(2,3)4)6-7-11(9)13-5;1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-11(2,3)8-5-6-10(13-4)9(12)7-8;1-11(2,3)9-6-5-8(13-4)7-10(9)12;1-11(2,3)9-5-7-10(12-4)8-6-9;1-11(2,3)9-6-5-7-10(8-9)12-4;1-11(2,3)9-7-5-6-8-10(9)12-4;1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)7-4-5-9(12)8(11)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)7-5-4-6-11-8(7)10;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8/h4*6-8H,1-4H3;4-7H,1-3H3;4-7H,1-3H3;2*5-7H,1-3H3;3*5-8H,1-3H3;5-8H,1-4H3;4-7H,1-3H3;2*4-6H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;4-8H,1-3H3;3*4-6H,1-3H3;2*4-7H,1-3H3
InChIKeyUNMGNJPSMFATMC-UHFFFAOYSA-N
MW4084.98 g/mol
LogP82.67
Rot. Bonds1

About 1-bromo-4-tert-butylbenzene;tert-butylbenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyridine;4-tert-butyl-1,2-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-4-isocyanobenzene;4-tert-butyl-2-fluoro-1-isocyanobenzene;5-tert-butyl-2-fluoropyridine;1-tert-butyl-2-isocyanobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;bis(1-tert-butyl-4-isocyano-2-methylbenzene);bis(4-tert-butyl-1-isocyano-2-methylbenzene);1-tert-butyl-4-methylbenzene;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene

1-bromo-4-tert-butylbenzene;tert-butylbenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyridine;4-tert-butyl-1,2-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-4-isocyanobenzene;4-tert-butyl-2-fluoro-1-isocyanobenzene;5-tert-butyl-2-fluoropyridine;1-tert-butyl-2-isocyanobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;bis(1-tert-butyl-4-isocyano-2-methylbenzene);bis(4-tert-butyl-1-isocyano-2-methylbenzene);1-tert-butyl-4-methylbenzene;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene (PubChem CID 161141334) has the molecular formula C251H316BrCl6F13N14O and a molecular weight of 4084.98 g/mol. Its IUPAC name is 1-bromo-4-tert-butylbenzene;tert-butylbenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyridine;4-tert-butyl-1,2-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-4-isocyanobenzene;4-tert-butyl-2-fluoro-1-isocyanobenzene;5-tert-butyl-2-fluoropyridine;1-tert-butyl-2-isocyanobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;bis(1-tert-butyl-4-isocyano-2-methylbenzene);bis(4-tert-butyl-1-isocyano-2-methylbenzene);1-tert-butyl-4-methylbenzene;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-tert-butylbenzene;tert-butylbenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyridine;4-tert-butyl-1,2-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-4-isocyanobenzene;4-tert-butyl-2-fluoro-1-isocyanobenzene;5-tert-butyl-2-fluoropyridine;1-tert-butyl-2-isocyanobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;bis(1-tert-butyl-4-isocyano-2-methylbenzene);bis(4-tert-butyl-1-isocyano-2-methylbenzene);1-tert-butyl-4-methylbenzene;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene
PubChem CID161141334
Molecular FormulaC251H316BrCl6F13N14O
Molecular Weight4084.98 g/mol
Exact Mass4078.22
IUPAC Name1-bromo-4-tert-butylbenzene;tert-butylbenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyridine;4-tert-butyl-1,2-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-4-isocyanobenzene;4-tert-butyl-2-fluoro-1-isocyanobenzene;5-tert-butyl-2-fluoropyridine;1-tert-butyl-2-isocyanobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;bis(1-tert-butyl-4-isocyano-2-methylbenzene);bis(4-tert-butyl-1-isocyano-2-methylbenzene);1-tert-butyl-4-methylbenzene;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene
SMILESCC(C)(C)c1ccc(Br)cc1.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(Cl)c(Cl)c1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(Cl)nc1.CC(C)(C)c1ccc(F)c(Cl)c1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(F)nc1.CC(C)(C)c1ccc(OC(F)(F)F)cc1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1Cl.CC(C)(C)c1ccncc1.Cc1ccc(C(C)(C)C)cc1.[C-]#[N+]c1ccc(C(C)(C)C)c(C)c1.[C-]#[N+]c1ccc(C(C)(C)C)c(C)c1.[C-]#[N+]c1ccc(C(C)(C)C)c(F)c1.[C-]#[N+]c1ccc(C(C)(C)C)cc1.[C-]#[N+]c1ccc(C(C)(C)C)cc1C.[C-]#[N+]c1ccc(C(C)(C)C)cc1C.[C-]#[N+]c1ccc(C(C)(C)C)cc1F.[C-]#[N+]c1cccc(C(C)(C)C)c1.[C-]#[N+]c1ccccc1C(C)(C)C
InChIInChI=1S/4C12H15N.C11H13F3O.C11H13F3.2C11H12FN.3C11H13N.C11H16.C10H13Br.C10H12Cl2.C10H12ClF.C10H13Cl.C10H12F2.C10H13F.C10H14.2C9H12ClN.C9H12FN.2C9H13N/c2*1-9-8-10(13-5)6-7-11(9)12(2,3)4;2*1-9-8-10(12(2,3)4)6-7-11(9)13-5;1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-11(2,3)8-5-6-10(13-4)9(12)7-8;1-11(2,3)9-6-5-8(13-4)7-10(9)12;1-11(2,3)9-5-7-10(12-4)8-6-9;1-11(2,3)9-6-5-7-10(8-9)12-4;1-11(2,3)9-7-5-6-8-10(9)12-4;1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)7-4-5-9(12)8(11)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)7-5-4-6-11-8(7)10;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8/h4*6-8H,1-4H3;4-7H,1-3H3;4-7H,1-3H3;2*5-7H,1-3H3;3*5-8H,1-3H3;5-8H,1-4H3;4-7H,1-3H3;2*4-6H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;4-8H,1-3H3;3*4-6H,1-3H3;2*4-7H,1-3H3
InChIKeyUNMGNJPSMFATMC-UHFFFAOYSA-N
XLogP82.67
TPSA112.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms286
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004084.98
LogP ≤ 582.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-bromo-4-tert-butylbenzene;tert-butylbenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyridine;4-tert-butyl-1,2-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-4-isocyanobenzene;4-tert-butyl-2-fluoro-1-isocyanobenzene;5-tert-butyl-2-fluoropyridine;1-tert-butyl-2-isocyanobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;bis(1-tert-butyl-4-isocyano-2-methylbenzene);bis(4-tert-butyl-1-isocyano-2-methylbenzene);1-tert-butyl-4-methylbenzene;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene with MolForge

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Launch Full Analysis

Related Compounds

1-Bromo-4-tert-butylbenzene;tert-butylbenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-2-chloropyridine;4-tert-butyl-1,2-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-4-isocyanobenzene;4-tert-butyl-2-fluoro-1-isocyanobenzene;1-tert-butyl-2-isocyanobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;bis(1-tert-butyl-4-isocyano-2-methylbenzene);bis(4-tert-butyl-1-isocyano-2-methylbenzene);1-tert-butyl-4-methylbenzene;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene
CID 159073426
1-bromo-2-propan-2-yl-4-(trifluoromethyl)benzene;1-chloro-4-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;methane;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine
CID 159839814

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-tert-butylbenzene;tert-butylbenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyridine;4-tert-butyl-1,2-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-4-isocyanobenzene;4-tert-butyl-2-fluoro-1-isocyanobenzene;5-tert-butyl-2-fluoropyridine;1-tert-butyl-2-isocyanobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;bis(1-tert-butyl-4-isocyano-2-methylbenzene);bis(4-tert-butyl-1-isocyano-2-methylbenzene);1-tert-butyl-4-methylbenzene;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-4-tert-butylbenzene;tert-butylbenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyridine;4-tert-butyl-1,2-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-4-isocyanobenzene;4-tert-butyl-2-fluoro-1-isocyanobenzene;5-tert-butyl-2-fluoropyridine;1-tert-butyl-2-isocyanobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;bis(1-tert-butyl-4-isocyano-2-methylbenzene);bis(4-tert-butyl-1-isocyano-2-methylbenzene);1-tert-butyl-4-methylbenzene;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene (CID 161141334) is 1-bromo-4-tert-butylbenzene;tert-butylbenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyridine;4-tert-butyl-1,2-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-4-isocyanobenzene;4-tert-butyl-2-fluoro-1-isocyanobenzene;5-tert-butyl-2-fluoropyridine;1-tert-butyl-2-isocyanobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;bis(1-tert-butyl-4-isocyano-2-methylbenzene);bis(4-tert-butyl-1-isocyano-2-methylbenzene);1-tert-butyl-4-methylbenzene;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-4-tert-butylbenzene;tert-butylbenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyridine;4-tert-butyl-1,2-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-4-isocyanobenzene;4-tert-butyl-2-fluoro-1-isocyanobenzene;5-tert-butyl-2-fluoropyridine;1-tert-butyl-2-isocyanobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;bis(1-tert-butyl-4-isocyano-2-methylbenzene);bis(4-tert-butyl-1-isocyano-2-methylbenzene);1-tert-butyl-4-methylbenzene;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-4-tert-butylbenzene;tert-butylbenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyridine;4-tert-butyl-1,2-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-4-isocyanobenzene;4-tert-butyl-2-fluoro-1-isocyanobenzene;5-tert-butyl-2-fluoropyridine;1-tert-butyl-2-isocyanobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;bis(1-tert-butyl-4-isocyano-2-methylbenzene);bis(4-tert-butyl-1-isocyano-2-methylbenzene);1-tert-butyl-4-methylbenzene;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene is CC(C)(C)c1ccc(Br)cc1.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(Cl)c(Cl)c1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(Cl)nc1.CC(C)(C)c1ccc(F)c(Cl)c1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(F)nc1.CC(C)(C)c1ccc(OC(F)(F)F)cc1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1Cl.CC(C)(C)c1ccncc1.Cc1ccc(C(C)(C)C)cc1.[C-]#[N+]c1ccc(C(C)(C)C)c(C)c1.[C-]#[N+]c1ccc(C(C)(C)C)c(C)c1.[C-]#[N+]c1ccc(C(C)(C)C)c(F)c1.[C-]#[N+]c1ccc(C(C)(C)C)cc1.[C-]#[N+]c1ccc(C(C)(C)C)cc1C.[C-]#[N+]c1ccc(C(C)(C)C)cc1C.[C-]#[N+]c1ccc(C(C)(C)C)cc1F.[C-]#[N+]c1cccc(C(C)(C)C)c1.[C-]#[N+]c1ccccc1C(C)(C)C.
What is the InChIKey of 1-bromo-4-tert-butylbenzene;tert-butylbenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyridine;4-tert-butyl-1,2-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-4-isocyanobenzene;4-tert-butyl-2-fluoro-1-isocyanobenzene;5-tert-butyl-2-fluoropyridine;1-tert-butyl-2-isocyanobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;bis(1-tert-butyl-4-isocyano-2-methylbenzene);bis(4-tert-butyl-1-isocyano-2-methylbenzene);1-tert-butyl-4-methylbenzene;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene?
The InChIKey is UNMGNJPSMFATMC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H15N.C11H13F3O.C11H13F3.2C11H12FN.3C11H13N.C11H16.C10H13Br.C10H12Cl2.C10H12ClF.C10H13Cl.C10H12F2.C10H13F.C10H14.2C9H12ClN.C9H12FN.2C9H13N/c2*1-9-8-10(13-5)6-7-11(9)12(2,3)4;2*1-9-8-10(12(2,3)4)6-7-11(9)13-5;1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-11(2,3)8-5-6-10(13-4)9(12)7-8;1-11(2,3)9-6-5-8(13-4)7-10(9)12;1-11(2,3)9-5-7-10(12-4)8-6-9;1-11(2,3)9-6-5-7-10(8-9)12-4;1-11(2,3)9-7-5-6-8-10(9)12-4;1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)7-4-5-9(12)8(11)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)7-5-4-6-11-8(7)10;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8/h4*6-8H,1-4H3;4-7H,1-3H3;4-7H,1-3H3;2*5-7H,1-3H3;3*5-8H,1-3H3;5-8H,1-4H3;4-7H,1-3H3;2*4-6H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;4-8H,1-3H3;3*4-6H,1-3H3;2*4-7H,1-3H3.
What are the key properties of 1-bromo-4-tert-butylbenzene;tert-butylbenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyridine;4-tert-butyl-1,2-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-4-isocyanobenzene;4-tert-butyl-2-fluoro-1-isocyanobenzene;5-tert-butyl-2-fluoropyridine;1-tert-butyl-2-isocyanobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;bis(1-tert-butyl-4-isocyano-2-methylbenzene);bis(4-tert-butyl-1-isocyano-2-methylbenzene);1-tert-butyl-4-methylbenzene;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene?
1-bromo-4-tert-butylbenzene;tert-butylbenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyridine;4-tert-butyl-1,2-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-4-isocyanobenzene;4-tert-butyl-2-fluoro-1-isocyanobenzene;5-tert-butyl-2-fluoropyridine;1-tert-butyl-2-isocyanobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;bis(1-tert-butyl-4-isocyano-2-methylbenzene);bis(4-tert-butyl-1-isocyano-2-methylbenzene);1-tert-butyl-4-methylbenzene;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene has a molecular weight of 4084.98 g/mol, XLogP of 82.67, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-tert-butylbenzene;tert-butylbenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyridine;4-tert-butyl-1,2-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-4-isocyanobenzene;4-tert-butyl-2-fluoro-1-isocyanobenzene;5-tert-butyl-2-fluoropyridine;1-tert-butyl-2-isocyanobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;bis(1-tert-butyl-4-isocyano-2-methylbenzene);bis(4-tert-butyl-1-isocyano-2-methylbenzene);1-tert-butyl-4-methylbenzene;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 161141334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).