1-bromo-4-methyl-2-propan-2-ylbenzene;1-bromo-4-propan-2-ylbenzene;3-tert-butyl-1-methyl-5-propan-2-ylpyrazole;1-(chloromethyl)-4-propan-2-ylbenzene;2-chloro-4-nitro-1-propan-2-ylbenzene;3-chloro-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylpyrazole;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-methyl-1,2-oxazole;methyl 2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate;2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene

C190H242Br2Cl3F20N15O9S2 — CID 157310132

IUPAC1-bromo-4-methyl-2-propan-2-ylbenzene;1-bromo-4-propan-2-ylbenzene;3-tert-butyl-1-methyl-5-propan-2-ylpyrazole;1-(chloromethyl)-4-propan-2-ylbenzene;2-chloro-4-nitro-1-propan-2-ylbenzene;3-chloro-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylpyrazole;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-methyl-1,2-oxazole;methyl 2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate;2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(C)c1cc(C(C)(C)C)nn1C.CC(C)c1ccc(Br)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-].CC(C)c1ccc(CCl)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(N)cc1Cl.CC(C)c1ccc([N+](=O)[O-])cc1Cl.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1cnco1.CC(C)c1nc2ccccc2s1.COC(=O)c1ccccc1-n1nc(C(F)(F)F)cc1C(C)C.Cc1cc(C(C)C)n(C)n1.Cc1ccc(Br)c(C(C)C)c1.Cc1ccc(F)c(C(C)C)c1.Cc1ccno1.Cc1nc(C(F)(F)F)ccc1C(C)C
InChIInChI=1S/C15H15F3N2O2.C11H20N2.C10H13Br.C10H13Cl.C10H10F3NO2.C10H12F3N.3C10H11F3.C10H13F.C10H11NS.C9H11Br.C9H10ClNO2.C9H12ClN.C9H11F.C8H14N2.C7H10O.C7H10S.C6H10N2.C6H9NO.C4H5NO/c1-9(2)12-8-13(15(16,17)18)19-20(12)11-7-5-4-6-10(11)14(21)22-3;1-8(2)9-7-10(11(3,4)5)12-13(9)6;1-7(2)9-6-8(3)4-5-10(9)11;1-8(2)10-5-3-9(7-11)4-6-10;1-6(2)8-4-3-7(10(11,12)13)5-9(8)14(15)16;1-6(2)8-4-5-9(10(11,12)13)14-7(8)3;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-7(2)9-6-8(3)4-5-10(9)11;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-3-5-9(10)6-4-8;1-6(2)8-4-3-7(11(12)13)5-9(8)10;1-6(2)8-4-3-7(11)5-9(8)10;1-7(2)8-3-5-9(10)6-4-8;1-6(2)8-5-7(3)9-10(8)4;2*1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-4-8-6;1-4-2-3-5-6-4/h4-9H,1-3H3;7-8H,1-6H3;4-7H,1-3H3;3-6,8H,7H2,1-2H3;3-6H,1-2H3;4-6H,1-3H3;3*3-7H,1-2H3;4-7H,1-3H3;3-7H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;3-6H,11H2,1-2H3;3-7H,1-2H3;5-6H,1-4H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;2-3H,1H3
InChIKeyBCYCQHNBLWXIJW-UHFFFAOYSA-N
MW3590.38 g/mol
LogP63.88
Rot. Bonds25

About 1-bromo-4-methyl-2-propan-2-ylbenzene;1-bromo-4-propan-2-ylbenzene;3-tert-butyl-1-methyl-5-propan-2-ylpyrazole;1-(chloromethyl)-4-propan-2-ylbenzene;2-chloro-4-nitro-1-propan-2-ylbenzene;3-chloro-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylpyrazole;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-methyl-1,2-oxazole;methyl 2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate;2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene

1-bromo-4-methyl-2-propan-2-ylbenzene;1-bromo-4-propan-2-ylbenzene;3-tert-butyl-1-methyl-5-propan-2-ylpyrazole;1-(chloromethyl)-4-propan-2-ylbenzene;2-chloro-4-nitro-1-propan-2-ylbenzene;3-chloro-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylpyrazole;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-methyl-1,2-oxazole;methyl 2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate;2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene (PubChem CID 157310132) has the molecular formula C190H242Br2Cl3F20N15O9S2 and a molecular weight of 3590.38 g/mol. Its IUPAC name is 1-bromo-4-methyl-2-propan-2-ylbenzene;1-bromo-4-propan-2-ylbenzene;3-tert-butyl-1-methyl-5-propan-2-ylpyrazole;1-(chloromethyl)-4-propan-2-ylbenzene;2-chloro-4-nitro-1-propan-2-ylbenzene;3-chloro-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylpyrazole;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-methyl-1,2-oxazole;methyl 2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate;2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-methyl-2-propan-2-ylbenzene;1-bromo-4-propan-2-ylbenzene;3-tert-butyl-1-methyl-5-propan-2-ylpyrazole;1-(chloromethyl)-4-propan-2-ylbenzene;2-chloro-4-nitro-1-propan-2-ylbenzene;3-chloro-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylpyrazole;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-methyl-1,2-oxazole;methyl 2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate;2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
PubChem CID157310132
Molecular FormulaC190H242Br2Cl3F20N15O9S2
Molecular Weight3590.38 g/mol
Exact Mass3584.55
IUPAC Name1-bromo-4-methyl-2-propan-2-ylbenzene;1-bromo-4-propan-2-ylbenzene;3-tert-butyl-1-methyl-5-propan-2-ylpyrazole;1-(chloromethyl)-4-propan-2-ylbenzene;2-chloro-4-nitro-1-propan-2-ylbenzene;3-chloro-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylpyrazole;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-methyl-1,2-oxazole;methyl 2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate;2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(C)c1cc(C(C)(C)C)nn1C.CC(C)c1ccc(Br)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-].CC(C)c1ccc(CCl)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(N)cc1Cl.CC(C)c1ccc([N+](=O)[O-])cc1Cl.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1cnco1.CC(C)c1nc2ccccc2s1.COC(=O)c1ccccc1-n1nc(C(F)(F)F)cc1C(C)C.Cc1cc(C(C)C)n(C)n1.Cc1ccc(Br)c(C(C)C)c1.Cc1ccc(F)c(C(C)C)c1.Cc1ccno1.Cc1nc(C(F)(F)F)ccc1C(C)C
InChIInChI=1S/C15H15F3N2O2.C11H20N2.C10H13Br.C10H13Cl.C10H10F3NO2.C10H12F3N.3C10H11F3.C10H13F.C10H11NS.C9H11Br.C9H10ClNO2.C9H12ClN.C9H11F.C8H14N2.C7H10O.C7H10S.C6H10N2.C6H9NO.C4H5NO/c1-9(2)12-8-13(15(16,17)18)19-20(12)11-7-5-4-6-10(11)14(21)22-3;1-8(2)9-7-10(11(3,4)5)12-13(9)6;1-7(2)9-6-8(3)4-5-10(9)11;1-8(2)10-5-3-9(7-11)4-6-10;1-6(2)8-4-3-7(10(11,12)13)5-9(8)14(15)16;1-6(2)8-4-5-9(10(11,12)13)14-7(8)3;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-7(2)9-6-8(3)4-5-10(9)11;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-3-5-9(10)6-4-8;1-6(2)8-4-3-7(11(12)13)5-9(8)10;1-6(2)8-4-3-7(11)5-9(8)10;1-7(2)8-3-5-9(10)6-4-8;1-6(2)8-5-7(3)9-10(8)4;2*1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-4-8-6;1-4-2-3-5-6-4/h4-9H,1-3H3;7-8H,1-6H3;4-7H,1-3H3;3-6,8H,7H2,1-2H3;3-6H,1-2H3;4-6H,1-3H3;3*3-7H,1-2H3;4-7H,1-3H3;3-7H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;3-6H,11H2,1-2H3;3-7H,1-2H3;5-6H,1-4H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;2-3H,1H3
InChIKeyBCYCQHNBLWXIJW-UHFFFAOYSA-N
XLogP63.88
TPSA311.72 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds25
Heavy Atoms241
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003590.38
LogP ≤ 563.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-bromo-4-methyl-2-propan-2-ylbenzene;1-bromo-4-propan-2-ylbenzene;3-tert-butyl-1-methyl-5-propan-2-ylpyrazole;1-(chloromethyl)-4-propan-2-ylbenzene;2-chloro-4-nitro-1-propan-2-ylbenzene;3-chloro-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylpyrazole;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-methyl-1,2-oxazole;methyl 2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate;2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-methyl-2-propan-2-ylbenzene;1-bromo-4-propan-2-ylbenzene;3-tert-butyl-1-methyl-5-propan-2-ylpyrazole;1-(chloromethyl)-4-propan-2-ylbenzene;2-chloro-4-nitro-1-propan-2-ylbenzene;3-chloro-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylpyrazole;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-methyl-1,2-oxazole;methyl 2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate;2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-4-methyl-2-propan-2-ylbenzene;1-bromo-4-propan-2-ylbenzene;3-tert-butyl-1-methyl-5-propan-2-ylpyrazole;1-(chloromethyl)-4-propan-2-ylbenzene;2-chloro-4-nitro-1-propan-2-ylbenzene;3-chloro-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylpyrazole;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-methyl-1,2-oxazole;methyl 2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate;2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene (CID 157310132) is 1-bromo-4-methyl-2-propan-2-ylbenzene;1-bromo-4-propan-2-ylbenzene;3-tert-butyl-1-methyl-5-propan-2-ylpyrazole;1-(chloromethyl)-4-propan-2-ylbenzene;2-chloro-4-nitro-1-propan-2-ylbenzene;3-chloro-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylpyrazole;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-methyl-1,2-oxazole;methyl 2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate;2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-4-methyl-2-propan-2-ylbenzene;1-bromo-4-propan-2-ylbenzene;3-tert-butyl-1-methyl-5-propan-2-ylpyrazole;1-(chloromethyl)-4-propan-2-ylbenzene;2-chloro-4-nitro-1-propan-2-ylbenzene;3-chloro-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylpyrazole;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-methyl-1,2-oxazole;methyl 2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate;2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-4-methyl-2-propan-2-ylbenzene;1-bromo-4-propan-2-ylbenzene;3-tert-butyl-1-methyl-5-propan-2-ylpyrazole;1-(chloromethyl)-4-propan-2-ylbenzene;2-chloro-4-nitro-1-propan-2-ylbenzene;3-chloro-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylpyrazole;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-methyl-1,2-oxazole;methyl 2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate;2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene is CC(C)c1cc(C(C)(C)C)nn1C.CC(C)c1ccc(Br)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-].CC(C)c1ccc(CCl)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(N)cc1Cl.CC(C)c1ccc([N+](=O)[O-])cc1Cl.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1cnco1.CC(C)c1nc2ccccc2s1.COC(=O)c1ccccc1-n1nc(C(F)(F)F)cc1C(C)C.Cc1cc(C(C)C)n(C)n1.Cc1ccc(Br)c(C(C)C)c1.Cc1ccc(F)c(C(C)C)c1.Cc1ccno1.Cc1nc(C(F)(F)F)ccc1C(C)C.
What is the InChIKey of 1-bromo-4-methyl-2-propan-2-ylbenzene;1-bromo-4-propan-2-ylbenzene;3-tert-butyl-1-methyl-5-propan-2-ylpyrazole;1-(chloromethyl)-4-propan-2-ylbenzene;2-chloro-4-nitro-1-propan-2-ylbenzene;3-chloro-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylpyrazole;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-methyl-1,2-oxazole;methyl 2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate;2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene?
The InChIKey is BCYCQHNBLWXIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2.C11H20N2.C10H13Br.C10H13Cl.C10H10F3NO2.C10H12F3N.3C10H11F3.C10H13F.C10H11NS.C9H11Br.C9H10ClNO2.C9H12ClN.C9H11F.C8H14N2.C7H10O.C7H10S.C6H10N2.C6H9NO.C4H5NO/c1-9(2)12-8-13(15(16,17)18)19-20(12)11-7-5-4-6-10(11)14(21)22-3;1-8(2)9-7-10(11(3,4)5)12-13(9)6;1-7(2)9-6-8(3)4-5-10(9)11;1-8(2)10-5-3-9(7-11)4-6-10;1-6(2)8-4-3-7(10(11,12)13)5-9(8)14(15)16;1-6(2)8-4-5-9(10(11,12)13)14-7(8)3;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-7(2)9-6-8(3)4-5-10(9)11;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-3-5-9(10)6-4-8;1-6(2)8-4-3-7(11(12)13)5-9(8)10;1-6(2)8-4-3-7(11)5-9(8)10;1-7(2)8-3-5-9(10)6-4-8;1-6(2)8-5-7(3)9-10(8)4;2*1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-4-8-6;1-4-2-3-5-6-4/h4-9H,1-3H3;7-8H,1-6H3;4-7H,1-3H3;3-6,8H,7H2,1-2H3;3-6H,1-2H3;4-6H,1-3H3;3*3-7H,1-2H3;4-7H,1-3H3;3-7H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;3-6H,11H2,1-2H3;3-7H,1-2H3;5-6H,1-4H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;2-3H,1H3.
What are the key properties of 1-bromo-4-methyl-2-propan-2-ylbenzene;1-bromo-4-propan-2-ylbenzene;3-tert-butyl-1-methyl-5-propan-2-ylpyrazole;1-(chloromethyl)-4-propan-2-ylbenzene;2-chloro-4-nitro-1-propan-2-ylbenzene;3-chloro-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylpyrazole;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-methyl-1,2-oxazole;methyl 2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate;2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene?
1-bromo-4-methyl-2-propan-2-ylbenzene;1-bromo-4-propan-2-ylbenzene;3-tert-butyl-1-methyl-5-propan-2-ylpyrazole;1-(chloromethyl)-4-propan-2-ylbenzene;2-chloro-4-nitro-1-propan-2-ylbenzene;3-chloro-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylpyrazole;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-methyl-1,2-oxazole;methyl 2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate;2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene has a molecular weight of 3590.38 g/mol, XLogP of 63.88, 25 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-methyl-2-propan-2-ylbenzene;1-bromo-4-propan-2-ylbenzene;3-tert-butyl-1-methyl-5-propan-2-ylpyrazole;1-(chloromethyl)-4-propan-2-ylbenzene;2-chloro-4-nitro-1-propan-2-ylbenzene;3-chloro-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylpyrazole;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-methyl-1,2-oxazole;methyl 2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate;2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 157310132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).