1-tert-butyl-3-[4-(1,1-difluoroethyl)phenyl]benzene;2-tert-butyl-5-[4-(1,1-difluoroethyl)phenyl]-1,3-dimethylbenzene;1-tert-butyl-2,4-dimethylbenzene;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-2,3-dimethyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-ethynylbenzene;1-(4-tert-butyl-3-fluoro-5-methylphenyl)-4-fluoro-4-methylpiperidine;1-(4-tert-butyl-3-fluorophenyl)-3-(1,1-difluoroethyl)azetidine;1-tert-butyl-3-methylbenzene;1-(4-tert-butyl-3-methylphenyl)-4-(1,1-difluoroethyl)piperidine;1-(4-tert-butyl-3-methylphenyl)-4,4-dimethylpiperidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylazetidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylpiperidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylpyrrolidine;2-tert-butyl-1,3,5-trimethylbenzene

C227H320F17N7O — CID 158280550

IUPAC1-tert-butyl-3-[4-(1,1-difluoroethyl)phenyl]benzene;2-tert-butyl-5-[4-(1,1-difluoroethyl)phenyl]-1,3-dimethylbenzene;1-tert-butyl-2,4-dimethylbenzene;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-2,3-dimethyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-ethynylbenzene;1-(4-tert-butyl-3-fluoro-5-methylphenyl)-4-fluoro-4-methylpiperidine;1-(4-tert-butyl-3-fluorophenyl)-3-(1,1-difluoroethyl)azetidine;1-tert-butyl-3-methylbenzene;1-(4-tert-butyl-3-methylphenyl)-4-(1,1-difluoroethyl)piperidine;1-(4-tert-butyl-3-methylphenyl)-4,4-dimethylpiperidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylazetidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylpiperidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylpyrrolidine;2-tert-butyl-1,3,5-trimethylbenzene
SMILESC#Cc1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(N2CC(C(C)(F)F)C2)cc1F.CC(C)(C)c1cccc(-c2ccc(C(C)(F)F)cc2)c1.Cc1c(OC(F)(F)F)ccc(C(C)(C)C)c1C.Cc1cc(-c2ccc(C(C)(F)F)cc2)cc(C)c1C(C)(C)C.Cc1cc(C)c(C(C)(C)C)c(C)c1.Cc1cc(N2CC(C)(F)C2)ccc1C(C)(C)C.Cc1cc(N2CCC(C(C)(F)F)CC2)ccc1C(C)(C)C.Cc1cc(N2CCC(C)(C)CC2)ccc1C(C)(C)C.Cc1cc(N2CCC(C)(F)C2)ccc1C(C)(C)C.Cc1cc(N2CCC(C)(F)CC2)cc(F)c1C(C)(C)C.Cc1cc(N2CCCC(C)(F)C2)ccc1C(C)(C)C.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccc(C(C)(C)C)cc1C.Cc1cccc(C(C)(C)C)c1
InChIInChI=1S/C20H24F2.C18H27F2N.C18H20F2.C18H29N.C17H25F2N.C17H26FN.C16H24FN.C15H20F3N.C15H22FN.C13H17F3O.C13H20.2C12H18.C12H14.C11H16/c1-13-11-16(12-14(2)18(13)19(3,4)5)15-7-9-17(10-8-15)20(6,21)22;1-13-12-15(6-7-16(13)17(2,3)4)21-10-8-14(9-11-21)18(5,19)20;1-17(2,3)16-7-5-6-14(12-16)13-8-10-15(11-9-13)18(4,19)20;1-14-13-15(7-8-16(14)17(2,3)4)19-11-9-18(5,6)10-12-19;1-12-10-13(11-14(18)15(12)16(2,3)4)20-8-6-17(5,19)7-9-20;1-13-11-14(7-8-15(13)16(2,3)4)19-10-6-9-17(5,18)12-19;1-12-10-13(6-7-14(12)15(2,3)4)18-9-8-16(5,17)11-18;1-14(2,3)12-6-5-11(7-13(12)16)19-8-10(9-19)15(4,17)18;1-11-8-12(17-9-15(5,16)10-17)6-7-13(11)14(2,3)4;1-8-9(2)11(17-13(14,15)16)7-6-10(8)12(3,4)5;1-9-7-10(2)12(11(3)8-9)13(4,5)6;1-9-6-7-11(8-10(9)2)12(3,4)5;1-9-6-7-11(10(2)8-9)12(3,4)5;1-5-10-6-8-11(9-7-10)12(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4/h7-12H,1-6H3;6-7,12,14H,8-11H2,1-5H3;5-12H,1-4H3;7-8,13H,9-12H2,1-6H3;10-11H,6-9H2,1-5H3;7-8,11H,6,9-10,12H2,1-5H3;6-7,10H,8-9,11H2,1-5H3;5-7,10H,8-9H2,1-4H3;6-8H,9-10H2,1-5H3;6-7H,1-5H3;7-8H,1-6H3;2*6-8H,1-5H3;1,6-9H,2-4H3;5-8H,1-4H3
InChIKeyGKDSIDJQDUECGG-UHFFFAOYSA-N
MW3486.07 g/mol
LogP65.76
Rot. Bonds14

About 1-tert-butyl-3-[4-(1,1-difluoroethyl)phenyl]benzene;2-tert-butyl-5-[4-(1,1-difluoroethyl)phenyl]-1,3-dimethylbenzene;1-tert-butyl-2,4-dimethylbenzene;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-2,3-dimethyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-ethynylbenzene;1-(4-tert-butyl-3-fluoro-5-methylphenyl)-4-fluoro-4-methylpiperidine;1-(4-tert-butyl-3-fluorophenyl)-3-(1,1-difluoroethyl)azetidine;1-tert-butyl-3-methylbenzene;1-(4-tert-butyl-3-methylphenyl)-4-(1,1-difluoroethyl)piperidine;1-(4-tert-butyl-3-methylphenyl)-4,4-dimethylpiperidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylazetidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylpiperidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylpyrrolidine;2-tert-butyl-1,3,5-trimethylbenzene

1-tert-butyl-3-[4-(1,1-difluoroethyl)phenyl]benzene;2-tert-butyl-5-[4-(1,1-difluoroethyl)phenyl]-1,3-dimethylbenzene;1-tert-butyl-2,4-dimethylbenzene;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-2,3-dimethyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-ethynylbenzene;1-(4-tert-butyl-3-fluoro-5-methylphenyl)-4-fluoro-4-methylpiperidine;1-(4-tert-butyl-3-fluorophenyl)-3-(1,1-difluoroethyl)azetidine;1-tert-butyl-3-methylbenzene;1-(4-tert-butyl-3-methylphenyl)-4-(1,1-difluoroethyl)piperidine;1-(4-tert-butyl-3-methylphenyl)-4,4-dimethylpiperidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylazetidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylpiperidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylpyrrolidine;2-tert-butyl-1,3,5-trimethylbenzene (PubChem CID 158280550) has the molecular formula C227H320F17N7O and a molecular weight of 3486.07 g/mol. Its IUPAC name is 1-tert-butyl-3-[4-(1,1-difluoroethyl)phenyl]benzene;2-tert-butyl-5-[4-(1,1-difluoroethyl)phenyl]-1,3-dimethylbenzene;1-tert-butyl-2,4-dimethylbenzene;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-2,3-dimethyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-ethynylbenzene;1-(4-tert-butyl-3-fluoro-5-methylphenyl)-4-fluoro-4-methylpiperidine;1-(4-tert-butyl-3-fluorophenyl)-3-(1,1-difluoroethyl)azetidine;1-tert-butyl-3-methylbenzene;1-(4-tert-butyl-3-methylphenyl)-4-(1,1-difluoroethyl)piperidine;1-(4-tert-butyl-3-methylphenyl)-4,4-dimethylpiperidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylazetidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylpiperidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylpyrrolidine;2-tert-butyl-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name1-tert-butyl-3-[4-(1,1-difluoroethyl)phenyl]benzene;2-tert-butyl-5-[4-(1,1-difluoroethyl)phenyl]-1,3-dimethylbenzene;1-tert-butyl-2,4-dimethylbenzene;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-2,3-dimethyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-ethynylbenzene;1-(4-tert-butyl-3-fluoro-5-methylphenyl)-4-fluoro-4-methylpiperidine;1-(4-tert-butyl-3-fluorophenyl)-3-(1,1-difluoroethyl)azetidine;1-tert-butyl-3-methylbenzene;1-(4-tert-butyl-3-methylphenyl)-4-(1,1-difluoroethyl)piperidine;1-(4-tert-butyl-3-methylphenyl)-4,4-dimethylpiperidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylazetidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylpiperidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylpyrrolidine;2-tert-butyl-1,3,5-trimethylbenzene
PubChem CID158280550
Molecular FormulaC227H320F17N7O
Molecular Weight3486.07 g/mol
Exact Mass3483.49
IUPAC Name1-tert-butyl-3-[4-(1,1-difluoroethyl)phenyl]benzene;2-tert-butyl-5-[4-(1,1-difluoroethyl)phenyl]-1,3-dimethylbenzene;1-tert-butyl-2,4-dimethylbenzene;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-2,3-dimethyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-ethynylbenzene;1-(4-tert-butyl-3-fluoro-5-methylphenyl)-4-fluoro-4-methylpiperidine;1-(4-tert-butyl-3-fluorophenyl)-3-(1,1-difluoroethyl)azetidine;1-tert-butyl-3-methylbenzene;1-(4-tert-butyl-3-methylphenyl)-4-(1,1-difluoroethyl)piperidine;1-(4-tert-butyl-3-methylphenyl)-4,4-dimethylpiperidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylazetidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylpiperidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylpyrrolidine;2-tert-butyl-1,3,5-trimethylbenzene
SMILESC#Cc1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(N2CC(C(C)(F)F)C2)cc1F.CC(C)(C)c1cccc(-c2ccc(C(C)(F)F)cc2)c1.Cc1c(OC(F)(F)F)ccc(C(C)(C)C)c1C.Cc1cc(-c2ccc(C(C)(F)F)cc2)cc(C)c1C(C)(C)C.Cc1cc(C)c(C(C)(C)C)c(C)c1.Cc1cc(N2CC(C)(F)C2)ccc1C(C)(C)C.Cc1cc(N2CCC(C(C)(F)F)CC2)ccc1C(C)(C)C.Cc1cc(N2CCC(C)(C)CC2)ccc1C(C)(C)C.Cc1cc(N2CCC(C)(F)C2)ccc1C(C)(C)C.Cc1cc(N2CCC(C)(F)CC2)cc(F)c1C(C)(C)C.Cc1cc(N2CCCC(C)(F)C2)ccc1C(C)(C)C.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccc(C(C)(C)C)cc1C.Cc1cccc(C(C)(C)C)c1
InChIInChI=1S/C20H24F2.C18H27F2N.C18H20F2.C18H29N.C17H25F2N.C17H26FN.C16H24FN.C15H20F3N.C15H22FN.C13H17F3O.C13H20.2C12H18.C12H14.C11H16/c1-13-11-16(12-14(2)18(13)19(3,4)5)15-7-9-17(10-8-15)20(6,21)22;1-13-12-15(6-7-16(13)17(2,3)4)21-10-8-14(9-11-21)18(5,19)20;1-17(2,3)16-7-5-6-14(12-16)13-8-10-15(11-9-13)18(4,19)20;1-14-13-15(7-8-16(14)17(2,3)4)19-11-9-18(5,6)10-12-19;1-12-10-13(11-14(18)15(12)16(2,3)4)20-8-6-17(5,19)7-9-20;1-13-11-14(7-8-15(13)16(2,3)4)19-10-6-9-17(5,18)12-19;1-12-10-13(6-7-14(12)15(2,3)4)18-9-8-16(5,17)11-18;1-14(2,3)12-6-5-11(7-13(12)16)19-8-10(9-19)15(4,17)18;1-11-8-12(17-9-15(5,16)10-17)6-7-13(11)14(2,3)4;1-8-9(2)11(17-13(14,15)16)7-6-10(8)12(3,4)5;1-9-7-10(2)12(11(3)8-9)13(4,5)6;1-9-6-7-11(8-10(9)2)12(3,4)5;1-9-6-7-11(10(2)8-9)12(3,4)5;1-5-10-6-8-11(9-7-10)12(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4/h7-12H,1-6H3;6-7,12,14H,8-11H2,1-5H3;5-12H,1-4H3;7-8,13H,9-12H2,1-6H3;10-11H,6-9H2,1-5H3;7-8,11H,6,9-10,12H2,1-5H3;6-7,10H,8-9,11H2,1-5H3;5-7,10H,8-9H2,1-4H3;6-8H,9-10H2,1-5H3;6-7H,1-5H3;7-8H,1-6H3;2*6-8H,1-5H3;1,6-9H,2-4H3;5-8H,1-4H3
InChIKeyGKDSIDJQDUECGG-UHFFFAOYSA-N
XLogP65.76
TPSA31.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms252
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003486.07
LogP ≤ 565.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-3-[4-(1,1-difluoroethyl)phenyl]benzene;2-tert-butyl-5-[4-(1,1-difluoroethyl)phenyl]-1,3-dimethylbenzene;1-tert-butyl-2,4-dimethylbenzene;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-2,3-dimethyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-ethynylbenzene;1-(4-tert-butyl-3-fluoro-5-methylphenyl)-4-fluoro-4-methylpiperidine;1-(4-tert-butyl-3-fluorophenyl)-3-(1,1-difluoroethyl)azetidine;1-tert-butyl-3-methylbenzene;1-(4-tert-butyl-3-methylphenyl)-4-(1,1-difluoroethyl)piperidine;1-(4-tert-butyl-3-methylphenyl)-4,4-dimethylpiperidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylazetidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylpiperidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylpyrrolidine;2-tert-butyl-1,3,5-trimethylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[4-(1,1-difluoroethyl)phenyl]benzene;2-tert-butyl-5-[4-(1,1-difluoroethyl)phenyl]-1,3-dimethylbenzene;1-tert-butyl-2,4-dimethylbenzene;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-2,3-dimethyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-ethynylbenzene;1-(4-tert-butyl-3-fluoro-5-methylphenyl)-4-fluoro-4-methylpiperidine;1-(4-tert-butyl-3-fluorophenyl)-3-(1,1-difluoroethyl)azetidine;1-tert-butyl-3-methylbenzene;1-(4-tert-butyl-3-methylphenyl)-4-(1,1-difluoroethyl)piperidine;1-(4-tert-butyl-3-methylphenyl)-4,4-dimethylpiperidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylazetidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylpiperidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylpyrrolidine;2-tert-butyl-1,3,5-trimethylbenzene?
The IUPAC name of 1-tert-butyl-3-[4-(1,1-difluoroethyl)phenyl]benzene;2-tert-butyl-5-[4-(1,1-difluoroethyl)phenyl]-1,3-dimethylbenzene;1-tert-butyl-2,4-dimethylbenzene;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-2,3-dimethyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-ethynylbenzene;1-(4-tert-butyl-3-fluoro-5-methylphenyl)-4-fluoro-4-methylpiperidine;1-(4-tert-butyl-3-fluorophenyl)-3-(1,1-difluoroethyl)azetidine;1-tert-butyl-3-methylbenzene;1-(4-tert-butyl-3-methylphenyl)-4-(1,1-difluoroethyl)piperidine;1-(4-tert-butyl-3-methylphenyl)-4,4-dimethylpiperidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylazetidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylpiperidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylpyrrolidine;2-tert-butyl-1,3,5-trimethylbenzene (CID 158280550) is 1-tert-butyl-3-[4-(1,1-difluoroethyl)phenyl]benzene;2-tert-butyl-5-[4-(1,1-difluoroethyl)phenyl]-1,3-dimethylbenzene;1-tert-butyl-2,4-dimethylbenzene;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-2,3-dimethyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-ethynylbenzene;1-(4-tert-butyl-3-fluoro-5-methylphenyl)-4-fluoro-4-methylpiperidine;1-(4-tert-butyl-3-fluorophenyl)-3-(1,1-difluoroethyl)azetidine;1-tert-butyl-3-methylbenzene;1-(4-tert-butyl-3-methylphenyl)-4-(1,1-difluoroethyl)piperidine;1-(4-tert-butyl-3-methylphenyl)-4,4-dimethylpiperidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylazetidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylpiperidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylpyrrolidine;2-tert-butyl-1,3,5-trimethylbenzene.
What is the SMILES notation for 1-tert-butyl-3-[4-(1,1-difluoroethyl)phenyl]benzene;2-tert-butyl-5-[4-(1,1-difluoroethyl)phenyl]-1,3-dimethylbenzene;1-tert-butyl-2,4-dimethylbenzene;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-2,3-dimethyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-ethynylbenzene;1-(4-tert-butyl-3-fluoro-5-methylphenyl)-4-fluoro-4-methylpiperidine;1-(4-tert-butyl-3-fluorophenyl)-3-(1,1-difluoroethyl)azetidine;1-tert-butyl-3-methylbenzene;1-(4-tert-butyl-3-methylphenyl)-4-(1,1-difluoroethyl)piperidine;1-(4-tert-butyl-3-methylphenyl)-4,4-dimethylpiperidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylazetidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylpiperidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylpyrrolidine;2-tert-butyl-1,3,5-trimethylbenzene?
The canonical SMILES for 1-tert-butyl-3-[4-(1,1-difluoroethyl)phenyl]benzene;2-tert-butyl-5-[4-(1,1-difluoroethyl)phenyl]-1,3-dimethylbenzene;1-tert-butyl-2,4-dimethylbenzene;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-2,3-dimethyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-ethynylbenzene;1-(4-tert-butyl-3-fluoro-5-methylphenyl)-4-fluoro-4-methylpiperidine;1-(4-tert-butyl-3-fluorophenyl)-3-(1,1-difluoroethyl)azetidine;1-tert-butyl-3-methylbenzene;1-(4-tert-butyl-3-methylphenyl)-4-(1,1-difluoroethyl)piperidine;1-(4-tert-butyl-3-methylphenyl)-4,4-dimethylpiperidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylazetidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylpiperidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylpyrrolidine;2-tert-butyl-1,3,5-trimethylbenzene is C#Cc1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(N2CC(C(C)(F)F)C2)cc1F.CC(C)(C)c1cccc(-c2ccc(C(C)(F)F)cc2)c1.Cc1c(OC(F)(F)F)ccc(C(C)(C)C)c1C.Cc1cc(-c2ccc(C(C)(F)F)cc2)cc(C)c1C(C)(C)C.Cc1cc(C)c(C(C)(C)C)c(C)c1.Cc1cc(N2CC(C)(F)C2)ccc1C(C)(C)C.Cc1cc(N2CCC(C(C)(F)F)CC2)ccc1C(C)(C)C.Cc1cc(N2CCC(C)(C)CC2)ccc1C(C)(C)C.Cc1cc(N2CCC(C)(F)C2)ccc1C(C)(C)C.Cc1cc(N2CCC(C)(F)CC2)cc(F)c1C(C)(C)C.Cc1cc(N2CCCC(C)(F)C2)ccc1C(C)(C)C.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccc(C(C)(C)C)cc1C.Cc1cccc(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-3-[4-(1,1-difluoroethyl)phenyl]benzene;2-tert-butyl-5-[4-(1,1-difluoroethyl)phenyl]-1,3-dimethylbenzene;1-tert-butyl-2,4-dimethylbenzene;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-2,3-dimethyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-ethynylbenzene;1-(4-tert-butyl-3-fluoro-5-methylphenyl)-4-fluoro-4-methylpiperidine;1-(4-tert-butyl-3-fluorophenyl)-3-(1,1-difluoroethyl)azetidine;1-tert-butyl-3-methylbenzene;1-(4-tert-butyl-3-methylphenyl)-4-(1,1-difluoroethyl)piperidine;1-(4-tert-butyl-3-methylphenyl)-4,4-dimethylpiperidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylazetidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylpiperidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylpyrrolidine;2-tert-butyl-1,3,5-trimethylbenzene?
The InChIKey is GKDSIDJQDUECGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2.C18H27F2N.C18H20F2.C18H29N.C17H25F2N.C17H26FN.C16H24FN.C15H20F3N.C15H22FN.C13H17F3O.C13H20.2C12H18.C12H14.C11H16/c1-13-11-16(12-14(2)18(13)19(3,4)5)15-7-9-17(10-8-15)20(6,21)22;1-13-12-15(6-7-16(13)17(2,3)4)21-10-8-14(9-11-21)18(5,19)20;1-17(2,3)16-7-5-6-14(12-16)13-8-10-15(11-9-13)18(4,19)20;1-14-13-15(7-8-16(14)17(2,3)4)19-11-9-18(5,6)10-12-19;1-12-10-13(11-14(18)15(12)16(2,3)4)20-8-6-17(5,19)7-9-20;1-13-11-14(7-8-15(13)16(2,3)4)19-10-6-9-17(5,18)12-19;1-12-10-13(6-7-14(12)15(2,3)4)18-9-8-16(5,17)11-18;1-14(2,3)12-6-5-11(7-13(12)16)19-8-10(9-19)15(4,17)18;1-11-8-12(17-9-15(5,16)10-17)6-7-13(11)14(2,3)4;1-8-9(2)11(17-13(14,15)16)7-6-10(8)12(3,4)5;1-9-7-10(2)12(11(3)8-9)13(4,5)6;1-9-6-7-11(8-10(9)2)12(3,4)5;1-9-6-7-11(10(2)8-9)12(3,4)5;1-5-10-6-8-11(9-7-10)12(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4/h7-12H,1-6H3;6-7,12,14H,8-11H2,1-5H3;5-12H,1-4H3;7-8,13H,9-12H2,1-6H3;10-11H,6-9H2,1-5H3;7-8,11H,6,9-10,12H2,1-5H3;6-7,10H,8-9,11H2,1-5H3;5-7,10H,8-9H2,1-4H3;6-8H,9-10H2,1-5H3;6-7H,1-5H3;7-8H,1-6H3;2*6-8H,1-5H3;1,6-9H,2-4H3;5-8H,1-4H3.
What are the key properties of 1-tert-butyl-3-[4-(1,1-difluoroethyl)phenyl]benzene;2-tert-butyl-5-[4-(1,1-difluoroethyl)phenyl]-1,3-dimethylbenzene;1-tert-butyl-2,4-dimethylbenzene;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-2,3-dimethyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-ethynylbenzene;1-(4-tert-butyl-3-fluoro-5-methylphenyl)-4-fluoro-4-methylpiperidine;1-(4-tert-butyl-3-fluorophenyl)-3-(1,1-difluoroethyl)azetidine;1-tert-butyl-3-methylbenzene;1-(4-tert-butyl-3-methylphenyl)-4-(1,1-difluoroethyl)piperidine;1-(4-tert-butyl-3-methylphenyl)-4,4-dimethylpiperidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylazetidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylpiperidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylpyrrolidine;2-tert-butyl-1,3,5-trimethylbenzene?
1-tert-butyl-3-[4-(1,1-difluoroethyl)phenyl]benzene;2-tert-butyl-5-[4-(1,1-difluoroethyl)phenyl]-1,3-dimethylbenzene;1-tert-butyl-2,4-dimethylbenzene;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-2,3-dimethyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-ethynylbenzene;1-(4-tert-butyl-3-fluoro-5-methylphenyl)-4-fluoro-4-methylpiperidine;1-(4-tert-butyl-3-fluorophenyl)-3-(1,1-difluoroethyl)azetidine;1-tert-butyl-3-methylbenzene;1-(4-tert-butyl-3-methylphenyl)-4-(1,1-difluoroethyl)piperidine;1-(4-tert-butyl-3-methylphenyl)-4,4-dimethylpiperidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylazetidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylpiperidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylpyrrolidine;2-tert-butyl-1,3,5-trimethylbenzene has a molecular weight of 3486.07 g/mol, XLogP of 65.76, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[4-(1,1-difluoroethyl)phenyl]benzene;2-tert-butyl-5-[4-(1,1-difluoroethyl)phenyl]-1,3-dimethylbenzene;1-tert-butyl-2,4-dimethylbenzene;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-2,3-dimethyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-ethynylbenzene;1-(4-tert-butyl-3-fluoro-5-methylphenyl)-4-fluoro-4-methylpiperidine;1-(4-tert-butyl-3-fluorophenyl)-3-(1,1-difluoroethyl)azetidine;1-tert-butyl-3-methylbenzene;1-(4-tert-butyl-3-methylphenyl)-4-(1,1-difluoroethyl)piperidine;1-(4-tert-butyl-3-methylphenyl)-4,4-dimethylpiperidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylazetidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylpiperidine;1-(4-tert-butyl-3-methylphenyl)-3-fluoro-3-methylpyrrolidine;2-tert-butyl-1,3,5-trimethylbenzene is sourced from PubChem (CID 158280550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).