1-butoxy-2-tert-butyl-4-fluorobenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzohydrazide;3-tert-butylbenzonitrile;4-tert-butyl-N,N-diethylbenzamide;1-tert-butyl-4-ethenylbenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;(5-tert-butyl-2-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-1-fluoro-2-(trifluoromethyl)benzene;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;1-tert-butyl-4-phenylbenzene;(3-tert-butylphenyl)methanol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone

C209H289F15N12O13S — CID 161084878

IUPAC1-butoxy-2-tert-butyl-4-fluorobenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzohydrazide;3-tert-butylbenzonitrile;4-tert-butyl-N,N-diethylbenzamide;1-tert-butyl-4-ethenylbenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;(5-tert-butyl-2-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-1-fluoro-2-(trifluoromethyl)benzene;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;1-tert-butyl-4-phenylbenzene;(3-tert-butylphenyl)methanol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone
SMILESC=Cc1ccc(C(C)(C)C)cc1.CC(C)(C)c1cc(C(=O)N2CCOCC2)cc(C(F)(F)F)c1.CC(C)(C)c1cc(F)cc(C(=O)CC2CCCCC2)c1.CC(C)(C)c1cc(NCCN2CCOCC2)cc(C(F)(F)F)c1.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(C(=O)NN)cc1.CC(C)(C)c1ccc(F)c(C(=O)N2CCOCC2)c1.CC(C)(C)c1ccc(F)c(C(F)(F)F)c1.CC(C)(C)c1ccc(S(N)(=O)=O)cc1.CC(C)(C)c1cccc(C#N)c1.CC(C)(C)c1cccc(CO)c1.CCCCOc1ccc(F)cc1C(C)(C)C.CCN(CC)C(=O)c1ccc(C(C)(C)C)cc1.CN1CCC(N(C)c2c(F)cccc2C(C)(C)C)C1.CN1CCCC1COc1cc(F)cc(C(C)(C)C)c1
InChIInChI=1S/C18H25FO.C17H25F3N2O.C16H20F3NO2.C16H25FN2.C16H24FNO.C16H18.C15H20FNO2.C15H23NO.C14H21FO.C12H16.C11H12F4.C11H16N2O.C11H13N.C11H16O.C10H15NO2S/c1-18(2,3)15-10-14(11-16(19)12-15)17(20)9-13-7-5-4-6-8-13;1-16(2,3)13-10-14(17(18,19)20)12-15(11-13)21-4-5-22-6-8-23-9-7-22;1-15(2,3)12-8-11(9-13(10-12)16(17,18)19)14(21)20-4-6-22-7-5-20;1-16(2,3)13-7-6-8-14(17)15(13)19(5)12-9-10-18(4)11-12;1-16(2,3)12-8-13(17)10-15(9-12)19-11-14-6-5-7-18(14)4;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-15(2,3)11-4-5-13(16)12(10-11)14(18)17-6-8-19-9-7-17;1-6-16(7-2)14(17)12-8-10-13(11-9-12)15(3,4)5;1-5-6-9-16-13-8-7-11(15)10-12(13)14(2,3)4;1-5-10-6-8-11(9-7-10)12(2,3)4;1-10(2,3)7-4-5-9(12)8(6-7)11(13,14)15;1-11(2,3)9-6-4-8(5-7-9)10(14)13-12;2*1-11(2,3)10-6-4-5-9(7-10)8-12;1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h10-13H,4-9H2,1-3H3;10-12,21H,4-9H2,1-3H3;8-10H,4-7H2,1-3H3;6-8,12H,9-11H2,1-5H3;8-10,14H,5-7,11H2,1-4H3;4-12H,1-3H3;4-5,10H,6-9H2,1-3H3;8-11H,6-7H2,1-5H3;7-8,10H,5-6,9H2,1-4H3;5-9H,1H2,2-4H3;4-6H,1-3H3;4-7H,12H2,1-3H3,(H,13,14);4-7H,1-3H3;4-7,12H,8H2,1-3H3;4-7H,1-3H3,(H2,11,12,13)
InChIKeyUGJJWMRGKQKBOX-UHFFFAOYSA-N
MW3494.72 g/mol
LogP50.69
Rot. Bonds26

About 1-butoxy-2-tert-butyl-4-fluorobenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzohydrazide;3-tert-butylbenzonitrile;4-tert-butyl-N,N-diethylbenzamide;1-tert-butyl-4-ethenylbenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;(5-tert-butyl-2-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-1-fluoro-2-(trifluoromethyl)benzene;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;1-tert-butyl-4-phenylbenzene;(3-tert-butylphenyl)methanol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone

1-butoxy-2-tert-butyl-4-fluorobenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzohydrazide;3-tert-butylbenzonitrile;4-tert-butyl-N,N-diethylbenzamide;1-tert-butyl-4-ethenylbenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;(5-tert-butyl-2-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-1-fluoro-2-(trifluoromethyl)benzene;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;1-tert-butyl-4-phenylbenzene;(3-tert-butylphenyl)methanol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone (PubChem CID 161084878) has the molecular formula C209H289F15N12O13S and a molecular weight of 3494.72 g/mol. Its IUPAC name is 1-butoxy-2-tert-butyl-4-fluorobenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzohydrazide;3-tert-butylbenzonitrile;4-tert-butyl-N,N-diethylbenzamide;1-tert-butyl-4-ethenylbenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;(5-tert-butyl-2-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-1-fluoro-2-(trifluoromethyl)benzene;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;1-tert-butyl-4-phenylbenzene;(3-tert-butylphenyl)methanol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name1-butoxy-2-tert-butyl-4-fluorobenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzohydrazide;3-tert-butylbenzonitrile;4-tert-butyl-N,N-diethylbenzamide;1-tert-butyl-4-ethenylbenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;(5-tert-butyl-2-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-1-fluoro-2-(trifluoromethyl)benzene;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;1-tert-butyl-4-phenylbenzene;(3-tert-butylphenyl)methanol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone
PubChem CID161084878
Molecular FormulaC209H289F15N12O13S
Molecular Weight3494.72 g/mol
Exact Mass3492.18
IUPAC Name1-butoxy-2-tert-butyl-4-fluorobenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzohydrazide;3-tert-butylbenzonitrile;4-tert-butyl-N,N-diethylbenzamide;1-tert-butyl-4-ethenylbenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;(5-tert-butyl-2-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-1-fluoro-2-(trifluoromethyl)benzene;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;1-tert-butyl-4-phenylbenzene;(3-tert-butylphenyl)methanol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone
SMILESC=Cc1ccc(C(C)(C)C)cc1.CC(C)(C)c1cc(C(=O)N2CCOCC2)cc(C(F)(F)F)c1.CC(C)(C)c1cc(F)cc(C(=O)CC2CCCCC2)c1.CC(C)(C)c1cc(NCCN2CCOCC2)cc(C(F)(F)F)c1.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(C(=O)NN)cc1.CC(C)(C)c1ccc(F)c(C(=O)N2CCOCC2)c1.CC(C)(C)c1ccc(F)c(C(F)(F)F)c1.CC(C)(C)c1ccc(S(N)(=O)=O)cc1.CC(C)(C)c1cccc(C#N)c1.CC(C)(C)c1cccc(CO)c1.CCCCOc1ccc(F)cc1C(C)(C)C.CCN(CC)C(=O)c1ccc(C(C)(C)C)cc1.CN1CCC(N(C)c2c(F)cccc2C(C)(C)C)C1.CN1CCCC1COc1cc(F)cc(C(C)(C)C)c1
InChIInChI=1S/C18H25FO.C17H25F3N2O.C16H20F3NO2.C16H25FN2.C16H24FNO.C16H18.C15H20FNO2.C15H23NO.C14H21FO.C12H16.C11H12F4.C11H16N2O.C11H13N.C11H16O.C10H15NO2S/c1-18(2,3)15-10-14(11-16(19)12-15)17(20)9-13-7-5-4-6-8-13;1-16(2,3)13-10-14(17(18,19)20)12-15(11-13)21-4-5-22-6-8-23-9-7-22;1-15(2,3)12-8-11(9-13(10-12)16(17,18)19)14(21)20-4-6-22-7-5-20;1-16(2,3)13-7-6-8-14(17)15(13)19(5)12-9-10-18(4)11-12;1-16(2,3)12-8-13(17)10-15(9-12)19-11-14-6-5-7-18(14)4;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-15(2,3)11-4-5-13(16)12(10-11)14(18)17-6-8-19-9-7-17;1-6-16(7-2)14(17)12-8-10-13(11-9-12)15(3,4)5;1-5-6-9-16-13-8-7-11(15)10-12(13)14(2,3)4;1-5-10-6-8-11(9-7-10)12(2,3)4;1-10(2,3)7-4-5-9(12)8(6-7)11(13,14)15;1-11(2,3)9-6-4-8(5-7-9)10(14)13-12;2*1-11(2,3)10-6-4-5-9(7-10)8-12;1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h10-13H,4-9H2,1-3H3;10-12,21H,4-9H2,1-3H3;8-10H,4-7H2,1-3H3;6-8,12H,9-11H2,1-5H3;8-10,14H,5-7,11H2,1-4H3;4-12H,1-3H3;4-5,10H,6-9H2,1-3H3;8-11H,6-7H2,1-5H3;7-8,10H,5-6,9H2,1-4H3;5-9H,1H2,2-4H3;4-6H,1-3H3;4-7H,12H2,1-3H3,(H,13,14);4-7H,1-3H3;4-7,12H,8H2,1-3H3;4-7H,1-3H3,(H2,11,12,13)
InChIKeyUGJJWMRGKQKBOX-UHFFFAOYSA-N
XLogP50.69
TPSA308.44 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds26
Heavy Atoms250
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003494.72
LogP ≤ 550.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-butoxy-2-tert-butyl-4-fluorobenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzohydrazide;3-tert-butylbenzonitrile;4-tert-butyl-N,N-diethylbenzamide;1-tert-butyl-4-ethenylbenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;(5-tert-butyl-2-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-1-fluoro-2-(trifluoromethyl)benzene;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;1-tert-butyl-4-phenylbenzene;(3-tert-butylphenyl)methanol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

1-butoxy-2-tert-butyl-4-fluorobenzene;4-tert-butylbenzenesulfonamide;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;(3-tert-butylphenyl)methanol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone
CID 157421155
1-butoxy-2-tert-butyl-4-fluorobenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzohydrazide;3-tert-butylbenzonitrile;4-tert-butyl-N,N-diethylbenzamide;1-tert-butyl-4-ethenylbenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;(5-tert-butyl-2-fluorophenyl)-morpholin-4-ylmethanone;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;1-tert-butyl-4-phenylbenzene;(3-tert-butylphenyl)methanol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone
CID 157503113
1-butoxy-2-tert-butyl-4-fluorobenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;(3-tert-butylphenyl)methanol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone
CID 158314232
1-butoxy-2-tert-butyl-4-fluorobenzene;3-tert-butylaniline;1-tert-butyl-3-fluoro-2-methoxybenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)-2-cyclopropylethanone;1-(3-tert-butylphenyl)-4-(dimethylamino)butan-1-one;(3-tert-butylphenyl)methanesulfonamide;(3-tert-butylphenyl)methanol;3-(3-tert-butylphenyl)sulfonylpropan-1-ol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone;methane
CID 159345811
1-butoxy-2-tert-butyl-4-fluorobenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzohydrazide;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;1-tert-butyl-4-phenylbenzene;(3-tert-butylphenyl)methanol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone
CID 161531354

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2-tert-butyl-4-fluorobenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzohydrazide;3-tert-butylbenzonitrile;4-tert-butyl-N,N-diethylbenzamide;1-tert-butyl-4-ethenylbenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;(5-tert-butyl-2-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-1-fluoro-2-(trifluoromethyl)benzene;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;1-tert-butyl-4-phenylbenzene;(3-tert-butylphenyl)methanol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of 1-butoxy-2-tert-butyl-4-fluorobenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzohydrazide;3-tert-butylbenzonitrile;4-tert-butyl-N,N-diethylbenzamide;1-tert-butyl-4-ethenylbenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;(5-tert-butyl-2-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-1-fluoro-2-(trifluoromethyl)benzene;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;1-tert-butyl-4-phenylbenzene;(3-tert-butylphenyl)methanol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone (CID 161084878) is 1-butoxy-2-tert-butyl-4-fluorobenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzohydrazide;3-tert-butylbenzonitrile;4-tert-butyl-N,N-diethylbenzamide;1-tert-butyl-4-ethenylbenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;(5-tert-butyl-2-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-1-fluoro-2-(trifluoromethyl)benzene;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;1-tert-butyl-4-phenylbenzene;(3-tert-butylphenyl)methanol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for 1-butoxy-2-tert-butyl-4-fluorobenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzohydrazide;3-tert-butylbenzonitrile;4-tert-butyl-N,N-diethylbenzamide;1-tert-butyl-4-ethenylbenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;(5-tert-butyl-2-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-1-fluoro-2-(trifluoromethyl)benzene;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;1-tert-butyl-4-phenylbenzene;(3-tert-butylphenyl)methanol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for 1-butoxy-2-tert-butyl-4-fluorobenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzohydrazide;3-tert-butylbenzonitrile;4-tert-butyl-N,N-diethylbenzamide;1-tert-butyl-4-ethenylbenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;(5-tert-butyl-2-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-1-fluoro-2-(trifluoromethyl)benzene;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;1-tert-butyl-4-phenylbenzene;(3-tert-butylphenyl)methanol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone is C=Cc1ccc(C(C)(C)C)cc1.CC(C)(C)c1cc(C(=O)N2CCOCC2)cc(C(F)(F)F)c1.CC(C)(C)c1cc(F)cc(C(=O)CC2CCCCC2)c1.CC(C)(C)c1cc(NCCN2CCOCC2)cc(C(F)(F)F)c1.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(C(=O)NN)cc1.CC(C)(C)c1ccc(F)c(C(=O)N2CCOCC2)c1.CC(C)(C)c1ccc(F)c(C(F)(F)F)c1.CC(C)(C)c1ccc(S(N)(=O)=O)cc1.CC(C)(C)c1cccc(C#N)c1.CC(C)(C)c1cccc(CO)c1.CCCCOc1ccc(F)cc1C(C)(C)C.CCN(CC)C(=O)c1ccc(C(C)(C)C)cc1.CN1CCC(N(C)c2c(F)cccc2C(C)(C)C)C1.CN1CCCC1COc1cc(F)cc(C(C)(C)C)c1.
What is the InChIKey of 1-butoxy-2-tert-butyl-4-fluorobenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzohydrazide;3-tert-butylbenzonitrile;4-tert-butyl-N,N-diethylbenzamide;1-tert-butyl-4-ethenylbenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;(5-tert-butyl-2-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-1-fluoro-2-(trifluoromethyl)benzene;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;1-tert-butyl-4-phenylbenzene;(3-tert-butylphenyl)methanol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone?
The InChIKey is UGJJWMRGKQKBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FO.C17H25F3N2O.C16H20F3NO2.C16H25FN2.C16H24FNO.C16H18.C15H20FNO2.C15H23NO.C14H21FO.C12H16.C11H12F4.C11H16N2O.C11H13N.C11H16O.C10H15NO2S/c1-18(2,3)15-10-14(11-16(19)12-15)17(20)9-13-7-5-4-6-8-13;1-16(2,3)13-10-14(17(18,19)20)12-15(11-13)21-4-5-22-6-8-23-9-7-22;1-15(2,3)12-8-11(9-13(10-12)16(17,18)19)14(21)20-4-6-22-7-5-20;1-16(2,3)13-7-6-8-14(17)15(13)19(5)12-9-10-18(4)11-12;1-16(2,3)12-8-13(17)10-15(9-12)19-11-14-6-5-7-18(14)4;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-15(2,3)11-4-5-13(16)12(10-11)14(18)17-6-8-19-9-7-17;1-6-16(7-2)14(17)12-8-10-13(11-9-12)15(3,4)5;1-5-6-9-16-13-8-7-11(15)10-12(13)14(2,3)4;1-5-10-6-8-11(9-7-10)12(2,3)4;1-10(2,3)7-4-5-9(12)8(6-7)11(13,14)15;1-11(2,3)9-6-4-8(5-7-9)10(14)13-12;2*1-11(2,3)10-6-4-5-9(7-10)8-12;1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h10-13H,4-9H2,1-3H3;10-12,21H,4-9H2,1-3H3;8-10H,4-7H2,1-3H3;6-8,12H,9-11H2,1-5H3;8-10,14H,5-7,11H2,1-4H3;4-12H,1-3H3;4-5,10H,6-9H2,1-3H3;8-11H,6-7H2,1-5H3;7-8,10H,5-6,9H2,1-4H3;5-9H,1H2,2-4H3;4-6H,1-3H3;4-7H,12H2,1-3H3,(H,13,14);4-7H,1-3H3;4-7,12H,8H2,1-3H3;4-7H,1-3H3,(H2,11,12,13).
What are the key properties of 1-butoxy-2-tert-butyl-4-fluorobenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzohydrazide;3-tert-butylbenzonitrile;4-tert-butyl-N,N-diethylbenzamide;1-tert-butyl-4-ethenylbenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;(5-tert-butyl-2-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-1-fluoro-2-(trifluoromethyl)benzene;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;1-tert-butyl-4-phenylbenzene;(3-tert-butylphenyl)methanol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone?
1-butoxy-2-tert-butyl-4-fluorobenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzohydrazide;3-tert-butylbenzonitrile;4-tert-butyl-N,N-diethylbenzamide;1-tert-butyl-4-ethenylbenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;(5-tert-butyl-2-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-1-fluoro-2-(trifluoromethyl)benzene;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;1-tert-butyl-4-phenylbenzene;(3-tert-butylphenyl)methanol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone has a molecular weight of 3494.72 g/mol, XLogP of 50.69, 26 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2-tert-butyl-4-fluorobenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzohydrazide;3-tert-butylbenzonitrile;4-tert-butyl-N,N-diethylbenzamide;1-tert-butyl-4-ethenylbenzene;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-(3-tert-butyl-5-fluorophenyl)-2-cyclohexylethanone;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;(5-tert-butyl-2-fluorophenyl)-morpholin-4-ylmethanone;4-tert-butyl-1-fluoro-2-(trifluoromethyl)benzene;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;1-tert-butyl-4-phenylbenzene;(3-tert-butylphenyl)methanol;[3-tert-butyl-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 161084878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).