1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-6-(2,4-difluoro-6-methylphenyl)pyridine;3-tert-butyl-1,1-dimethylcyclohexane;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-chloro-3,5-difluoro-2-(3-propan-2-ylphenyl)benzene;3-fluoro-2,4,4-trimethylpent-2-ene

C177H232Cl2F10N10 — CID 160741421

About 1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-6-(2,4-difluoro-6-methylphenyl)pyridine;3-tert-butyl-1,1-dimethylcyclohexane;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-chloro-3,5-difluoro-2-(3-propan-2-ylphenyl)benzene;3-fluoro-2,4,4-trimethylpent-2-ene

1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-6-(2,4-difluoro-6-methylphenyl)pyridine;3-tert-butyl-1,1-dimethylcyclohexane;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-chloro-3,5-difluoro-2-(3-propan-2-ylphenyl)benzene;3-fluoro-2,4,4-trimethylpent-2-ene (PubChem CID 160741421) has the molecular formula C177H232Cl2F10N10 and a molecular weight of 2760.76 g/mol. Its IUPAC name is 1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-6-(2,4-difluoro-6-methylphenyl)pyridine;3-tert-butyl-1,1-dimethylcyclohexane;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-chloro-3,5-difluoro-2-(3-propan-2-ylphenyl)benzene;3-fluoro-2,4,4-trimethylpent-2-ene.

Molecular Properties

• Compound Name: 1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-6-(2,4-difluoro-6-methylphenyl)pyridine;3-tert-butyl-1,1-dimethylcyclohexane;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-chloro-3,5-difluoro-2-(3-propan-2-ylphenyl)benzene;3-fluoro-2,4,4-trimethylpent-2-ene
• PubChem CID: 160741421
• Molecular Formula: C177H232Cl2F10N10
• Molecular Weight: 2760.76 g/mol
• Exact Mass: 2757.77
• IUPAC Name: 1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-6-(2,4-difluoro-6-methylphenyl)pyridine;3-tert-butyl-1,1-dimethylcyclohexane;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-chloro-3,5-difluoro-2-(3-propan-2-ylphenyl)benzene;3-fluoro-2,4,4-trimethylpent-2-ene
• SMILES: CC(C)(C)N1CCc2c([nH]c3ccccc23)C1.CC(C)(C)c1cccc(-c2cccc(Cl)c2)c1F.CC(C)(C)c1cccc(C2CC2)n1.CC(C)=C(F)C(C)(C)C.CC(C)c1cccc(-c2c(F)cc(F)cc2Cl)c1.CC1(C)CCCC(C(C)(C)C)C1.Cc1cc(F)c(F)cc1-c1cccc(C(C)(C)C)c1F.Cc1cc(F)cc(F)c1-c1cccc(C(C)(C)C)n1.Cc1ccc(F)c(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.Cc1ccccc1-c1cccc(C(C)(C)C)n1.Cc1cncc(C(C)(C)C)c1
• InChI: InChI=1S/C17H17F3.C16H16ClF.C16H17F2N.C16H19N.C15H13ClF2.C15H20N2.C12H17N.C12H24.C10H14FN.4C10H15N.C8H15F/c1-10-8-14(18)15(19)9-12(10)11-6-5-7-13(16(11)20)17(2,3)4;1-16(2,3)14-9-5-8-13(15(14)18)11-6-4-7-12(17)10-11;1-10-8-11(17)9-12(18)15(10)13-6-5-7-14(19-13)16(2,3)4;1-12-8-5-6-9-13(12)14-10-7-11-15(17-14)16(2,3)4;1-9(2)10-4-3-5-11(6-10)15-13(16)7-12(17)8-14(15)18;1-15(2,3)17-9-8-12-11-6-4-5-7-13(11)16-14(12)10-17;1-12(2,3)11-6-4-5-10(13-11)9-7-8-9;1-11(2,3)10-7-6-8-12(4,5)9-10;1-7-5-6-8(11)9(12-7)10(2,3)4;1-8-5-9(7-11-6-8)10(2,3)4;3*1-8-6-5-7-9(11-8)10(2,3)4;1-6(2)7(9)8(3,4)5/h5-9H,1-4H3;4-10H,1-3H3;5-9H,1-4H3;5-11H,1-4H3;3-9H,1-2H3;4-7,16H,8-10H2,1-3H3;4-6,9H,7-8H2,1-3H3;10H,6-9H2,1-5H3;5-6H,1-4H3;4*5-7H,1-4H3;1-5H3
• InChIKey: RVQGPNOMPOGVSY-UHFFFAOYSA-N
• XLogP: 52.92
• TPSA: 122.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2760.76
LogP ≤ 5	52.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-6-(2,4-difluoro-6-methylphenyl)pyridine;3-tert-butyl-1,1-dimethylcyclohexane;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-chloro-3,5-difluoro-2-(3-propan-2-ylphenyl)benzene;3-fluoro-2,4,4-trimethylpent-2-ene?

The IUPAC name of 1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-6-(2,4-difluoro-6-methylphenyl)pyridine;3-tert-butyl-1,1-dimethylcyclohexane;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-chloro-3,5-difluoro-2-(3-propan-2-ylphenyl)benzene;3-fluoro-2,4,4-trimethylpent-2-ene (CID 160741421) is 1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-6-(2,4-difluoro-6-methylphenyl)pyridine;3-tert-butyl-1,1-dimethylcyclohexane;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-chloro-3,5-difluoro-2-(3-propan-2-ylphenyl)benzene;3-fluoro-2,4,4-trimethylpent-2-ene.

What is the SMILES notation for 1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-6-(2,4-difluoro-6-methylphenyl)pyridine;3-tert-butyl-1,1-dimethylcyclohexane;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-chloro-3,5-difluoro-2-(3-propan-2-ylphenyl)benzene;3-fluoro-2,4,4-trimethylpent-2-ene?

The canonical SMILES for 1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-6-(2,4-difluoro-6-methylphenyl)pyridine;3-tert-butyl-1,1-dimethylcyclohexane;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-chloro-3,5-difluoro-2-(3-propan-2-ylphenyl)benzene;3-fluoro-2,4,4-trimethylpent-2-ene is CC(C)(C)N1CCc2c([nH]c3ccccc23)C1.CC(C)(C)c1cccc(-c2cccc(Cl)c2)c1F.CC(C)(C)c1cccc(C2CC2)n1.CC(C)=C(F)C(C)(C)C.CC(C)c1cccc(-c2c(F)cc(F)cc2Cl)c1.CC1(C)CCCC(C(C)(C)C)C1.Cc1cc(F)c(F)cc1-c1cccc(C(C)(C)C)c1F.Cc1cc(F)cc(F)c1-c1cccc(C(C)(C)C)n1.Cc1ccc(F)c(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.Cc1ccccc1-c1cccc(C(C)(C)C)n1.Cc1cncc(C(C)(C)C)c1.

What is the InChIKey of 1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-6-(2,4-difluoro-6-methylphenyl)pyridine;3-tert-butyl-1,1-dimethylcyclohexane;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-chloro-3,5-difluoro-2-(3-propan-2-ylphenyl)benzene;3-fluoro-2,4,4-trimethylpent-2-ene?

The InChIKey is RVQGPNOMPOGVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3.C16H16ClF.C16H17F2N.C16H19N.C15H13ClF2.C15H20N2.C12H17N.C12H24.C10H14FN.4C10H15N.C8H15F/c1-10-8-14(18)15(19)9-12(10)11-6-5-7-13(16(11)20)17(2,3)4;1-16(2,3)14-9-5-8-13(15(14)18)11-6-4-7-12(17)10-11;1-10-8-11(17)9-12(18)15(10)13-6-5-7-14(19-13)16(2,3)4;1-12-8-5-6-9-13(12)14-10-7-11-15(17-14)16(2,3)4;1-9(2)10-4-3-5-11(6-10)15-13(16)7-12(17)8-14(15)18;1-15(2,3)17-9-8-12-11-6-4-5-7-13(11)16-14(12)10-17;1-12(2,3)11-6-4-5-10(13-11)9-7-8-9;1-11(2,3)10-7-6-8-12(4,5)9-10;1-7-5-6-8(11)9(12-7)10(2,3)4;1-8-5-9(7-11-6-8)10(2,3)4;3*1-8-6-5-7-9(11-8)10(2,3)4;1-6(2)7(9)8(3,4)5/h5-9H,1-4H3;4-10H,1-3H3;5-9H,1-4H3;5-11H,1-4H3;3-9H,1-2H3;4-7,16H,8-10H2,1-3H3;4-6,9H,7-8H2,1-3H3;10H,6-9H2,1-5H3;5-6H,1-4H3;4*5-7H,1-4H3;1-5H3.

What are the key properties of 1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-6-(2,4-difluoro-6-methylphenyl)pyridine;3-tert-butyl-1,1-dimethylcyclohexane;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-chloro-3,5-difluoro-2-(3-propan-2-ylphenyl)benzene;3-fluoro-2,4,4-trimethylpent-2-ene?

1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-6-(2,4-difluoro-6-methylphenyl)pyridine;3-tert-butyl-1,1-dimethylcyclohexane;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-chloro-3,5-difluoro-2-(3-propan-2-ylphenyl)benzene;3-fluoro-2,4,4-trimethylpent-2-ene has a molecular weight of 2760.76 g/mol, XLogP of 52.92, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-6-(2,4-difluoro-6-methylphenyl)pyridine;3-tert-butyl-1,1-dimethylcyclohexane;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-chloro-3,5-difluoro-2-(3-propan-2-ylphenyl)benzene;3-fluoro-2,4,4-trimethylpent-2-ene is sourced from PubChem (CID 160741421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).