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

C118H171F10N7O9S — CID 157421155

IUPAC1-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
SMILESCC(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(S(N)(=O)=O)cc1.CC(C)(C)c1cccc(CO)c1.CCCCOc1ccc(F)cc1C(C)(C)C.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.C14H21FO.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;1-5-6-9-16-13-8-7-11(15)10-12(13)14(2,3)4;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;7-8,10H,5-6,9H2,1-4H3;4-7,12H,8H2,1-3H3;4-7H,1-3H3,(H2,11,12,13)
InChIKeyBPKOAPOUFVSQNS-UHFFFAOYSA-N
MW2053.75 g/mol
LogP27.77
Rot. Bonds19

About 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

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 (PubChem CID 157421155) has the molecular formula C118H171F10N7O9S and a molecular weight of 2053.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID157421155
Molecular FormulaC118H171F10N7O9S
Molecular Weight2053.75 g/mol
Exact Mass2052.27
IUPAC Name1-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
SMILESCC(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(S(N)(=O)=O)cc1.CC(C)(C)c1cccc(CO)c1.CCCCOc1ccc(F)cc1C(C)(C)C.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.C14H21FO.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;1-5-6-9-16-13-8-7-11(15)10-12(13)14(2,3)4;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;7-8,10H,5-6,9H2,1-4H3;4-7,12H,8H2,1-3H3;4-7H,1-3H3,(H2,11,12,13)
InChIKeyBPKOAPOUFVSQNS-UHFFFAOYSA-N
XLogP27.77
TPSA179.68 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002053.75
LogP ≤ 527.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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-tert-butyl-2,5-difluoro-4-methoxybenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-[(3-fluorophenyl)methoxy]benzene;1-(5-tert-butyl-2-fluorophenyl)-2-phenylethanone;(5-tert-butyl-2-fluorophenyl)-piperidin-1-ylmethanone;(5-tert-butyl-2-fluorophenyl)-pyrrolidin-1-ylmethanone;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;2-tert-butyl-N-(2-hydroxyethyl)benzamide;4-(5-tert-butyl-2-methoxyphenyl)sulfonylmorpholine;N-(3-tert-butylphenyl)methanesulfonamide;1-tert-butyl-3-propan-2-ylbenzene;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine;fluoromethane
CID 159995170
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
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
N-[3-[(3aR,4R,9bR)-4-(hydroxymethyl)-1-(4-methylphenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]phenyl]-4-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]propyl]-2-fluorophenyl]butanamide
CID 176912605
N-[3-[(3aR,4R,9bR)-4-(hydroxymethyl)-1-(4-methylphenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]phenyl]-4-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypropyl]-2-fluorophenyl]butanamide
CID 176912683
2-tert-butyl-N,N-dimethylbenzenesulfonamide;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;4-[(3-tert-butylphenyl)methyl]oxane;1-(2-tert-butylphenyl)-4-methylpiperazine;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;(3-tert-butylphenyl)-morpholin-4-ylmethanone;1-(2-tert-butylphenyl)piperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonylpiperazine;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol
CID 157419369
3-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;2-(3-tert-butylphenoxy)-N-methylethanamine;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;2-(3-tert-butylphenyl)-1-methylpyrrolidine;3-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;3-(3-tert-butylphenyl)pyrrolidine
CID 157457324
3-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;2-(3-tert-butylphenyl)-1-methylpyrrolidine;3-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;3-(3-tert-butylphenyl)pyrrolidine
CID 157653213
N-[3-[(3aR,4R,9bR)-4-(hydroxymethyl)-1-(4-methylphenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]phenyl]-8-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]octanamide
CID 176042763

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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(S(N)(=O)=O)cc1.CC(C)(C)c1cccc(CO)c1.CCCCOc1ccc(F)cc1C(C)(C)C.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;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?
The InChIKey is BPKOAPOUFVSQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FO.C17H25F3N2O.C16H20F3NO2.C16H25FN2.C16H24FNO.C14H21FO.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;1-5-6-9-16-13-8-7-11(15)10-12(13)14(2,3)4;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;7-8,10H,5-6,9H2,1-4H3;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;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?
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 has a molecular weight of 2053.75 g/mol, XLogP of 27.77, 19 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157421155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).