1-tert-butyl-3-chloro-5-fluorobenzene;2-tert-butyl-5-chlorothiophene;5-tert-butyl-2,3-difluoropyridine;3-tert-butyl-5-fluoropyridine;bis(1-tert-butyl-3-methylbenzene);(4-tert-butylphenoxy)-pentafluoro-λ6-sulfane;(4-tert-butylphenyl)-trimethylsilane;2-chloro-1-fluoro-4-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene

C165H229Cl5F16N2O2S2Si — CID 160758770

About 1-tert-butyl-3-chloro-5-fluorobenzene;2-tert-butyl-5-chlorothiophene;5-tert-butyl-2,3-difluoropyridine;3-tert-butyl-5-fluoropyridine;bis(1-tert-butyl-3-methylbenzene);(4-tert-butylphenoxy)-pentafluoro-λ6-sulfane;(4-tert-butylphenyl)-trimethylsilane;2-chloro-1-fluoro-4-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene

1-tert-butyl-3-chloro-5-fluorobenzene;2-tert-butyl-5-chlorothiophene;5-tert-butyl-2,3-difluoropyridine;3-tert-butyl-5-fluoropyridine;bis(1-tert-butyl-3-methylbenzene);(4-tert-butylphenoxy)-pentafluoro-λ6-sulfane;(4-tert-butylphenyl)-trimethylsilane;2-chloro-1-fluoro-4-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene (PubChem CID 160758770) has the molecular formula C165H229Cl5F16N2O2S2Si and a molecular weight of 2846.11 g/mol. Its IUPAC name is 1-tert-butyl-3-chloro-5-fluorobenzene;2-tert-butyl-5-chlorothiophene;5-tert-butyl-2,3-difluoropyridine;3-tert-butyl-5-fluoropyridine;bis(1-tert-butyl-3-methylbenzene);(4-tert-butylphenoxy)-pentafluoro-λ6-sulfane;(4-tert-butylphenyl)-trimethylsilane;2-chloro-1-fluoro-4-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene.

Molecular Properties

• Compound Name: 1-tert-butyl-3-chloro-5-fluorobenzene;2-tert-butyl-5-chlorothiophene;5-tert-butyl-2,3-difluoropyridine;3-tert-butyl-5-fluoropyridine;bis(1-tert-butyl-3-methylbenzene);(4-tert-butylphenoxy)-pentafluoro-λ6-sulfane;(4-tert-butylphenyl)-trimethylsilane;2-chloro-1-fluoro-4-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene
• PubChem CID: 160758770
• Molecular Formula: C165H229Cl5F16N2O2S2Si
• Molecular Weight: 2846.11 g/mol
• Exact Mass: 2841.53
• IUPAC Name: 1-tert-butyl-3-chloro-5-fluorobenzene;2-tert-butyl-5-chlorothiophene;5-tert-butyl-2,3-difluoropyridine;3-tert-butyl-5-fluoropyridine;bis(1-tert-butyl-3-methylbenzene);(4-tert-butylphenoxy)-pentafluoro-λ6-sulfane;(4-tert-butylphenyl)-trimethylsilane;2-chloro-1-fluoro-4-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene
• SMILES: C.C.C.C.CC(C)(C)c1cc(F)cc(Cl)c1.CC(C)(C)c1ccc(Cl)s1.CC(C)(C)c1ccc(OS(F)(F)(F)(F)F)cc1.CC(C)(C)c1ccc([Si](C)(C)C)cc1.CC(C)(C)c1cnc(F)c(F)c1.CC(C)(C)c1cncc(F)c1.CC(C)c1cc(Cl)cc(Cl)c1.CC(C)c1ccc(F)c(Cl)c1.CC(C)c1ccc(F)c(F)c1.Cc1cc(F)c(C(C)C)c(F)c1.Cc1cc2c(c(C(C)C)c1)CCCO2.Cc1ccc(C(C)C)c(F)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1F.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1
• InChI: InChI=1S/C13H18O.C13H22Si.2C11H16.C10H12ClF.C10H13F5OS.C10H12F2.2C10H13F.C10H14.C9H10Cl2.C9H10ClF.C9H11F2N.C9H10F2.C9H12FN.C8H11ClS.4CH4/c1-9(2)12-7-10(3)8-13-11(12)5-4-6-14-13;1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;2*1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)7-4-8(11)6-9(12)5-7;1-10(2,3)8-4-6-9(7-5-8)16-17(11,12,13,14)15;1-6(2)10-8(11)4-7(3)5-9(10)12;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-5-4-8(3)6-10(9)11;1-8(2)10-6-4-9(3)5-7-10;1-6(2)7-3-8(10)5-9(11)4-7;1-6(2)7-3-4-9(11)8(10)5-7;1-9(2,3)6-4-7(10)8(11)12-5-6;1-6(2)7-3-4-8(10)9(11)5-7;1-9(2,3)7-4-8(10)6-11-5-7;1-8(2,3)6-4-5-7(9)10-6;;;;/h7-9H,4-6H2,1-3H3;7-10H,1-6H3;2*5-8H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;4-8H,1-3H3;2*3-6H,1-2H3;4-5H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;4-5H,1-3H3;4*1H4
• InChIKey: RXTWUJOIPCPCFT-UHFFFAOYSA-N
• XLogP: 58.17
• TPSA: 44.24 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2846.11
LogP ≤ 5	58.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-chloro-5-fluorobenzene;2-tert-butyl-5-chlorothiophene;5-tert-butyl-2,3-difluoropyridine;3-tert-butyl-5-fluoropyridine;bis(1-tert-butyl-3-methylbenzene);(4-tert-butylphenoxy)-pentafluoro-λ6-sulfane;(4-tert-butylphenyl)-trimethylsilane;2-chloro-1-fluoro-4-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene?

The IUPAC name of 1-tert-butyl-3-chloro-5-fluorobenzene;2-tert-butyl-5-chlorothiophene;5-tert-butyl-2,3-difluoropyridine;3-tert-butyl-5-fluoropyridine;bis(1-tert-butyl-3-methylbenzene);(4-tert-butylphenoxy)-pentafluoro-λ6-sulfane;(4-tert-butylphenyl)-trimethylsilane;2-chloro-1-fluoro-4-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene (CID 160758770) is 1-tert-butyl-3-chloro-5-fluorobenzene;2-tert-butyl-5-chlorothiophene;5-tert-butyl-2,3-difluoropyridine;3-tert-butyl-5-fluoropyridine;bis(1-tert-butyl-3-methylbenzene);(4-tert-butylphenoxy)-pentafluoro-λ6-sulfane;(4-tert-butylphenyl)-trimethylsilane;2-chloro-1-fluoro-4-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene.

What is the SMILES notation for 1-tert-butyl-3-chloro-5-fluorobenzene;2-tert-butyl-5-chlorothiophene;5-tert-butyl-2,3-difluoropyridine;3-tert-butyl-5-fluoropyridine;bis(1-tert-butyl-3-methylbenzene);(4-tert-butylphenoxy)-pentafluoro-λ6-sulfane;(4-tert-butylphenyl)-trimethylsilane;2-chloro-1-fluoro-4-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene?

The canonical SMILES for 1-tert-butyl-3-chloro-5-fluorobenzene;2-tert-butyl-5-chlorothiophene;5-tert-butyl-2,3-difluoropyridine;3-tert-butyl-5-fluoropyridine;bis(1-tert-butyl-3-methylbenzene);(4-tert-butylphenoxy)-pentafluoro-λ6-sulfane;(4-tert-butylphenyl)-trimethylsilane;2-chloro-1-fluoro-4-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene is C.C.C.C.CC(C)(C)c1cc(F)cc(Cl)c1.CC(C)(C)c1ccc(Cl)s1.CC(C)(C)c1ccc(OS(F)(F)(F)(F)F)cc1.CC(C)(C)c1ccc([Si](C)(C)C)cc1.CC(C)(C)c1cnc(F)c(F)c1.CC(C)(C)c1cncc(F)c1.CC(C)c1cc(Cl)cc(Cl)c1.CC(C)c1ccc(F)c(Cl)c1.CC(C)c1ccc(F)c(F)c1.Cc1cc(F)c(C(C)C)c(F)c1.Cc1cc2c(c(C(C)C)c1)CCCO2.Cc1ccc(C(C)C)c(F)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1F.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.

What is the InChIKey of 1-tert-butyl-3-chloro-5-fluorobenzene;2-tert-butyl-5-chlorothiophene;5-tert-butyl-2,3-difluoropyridine;3-tert-butyl-5-fluoropyridine;bis(1-tert-butyl-3-methylbenzene);(4-tert-butylphenoxy)-pentafluoro-λ6-sulfane;(4-tert-butylphenyl)-trimethylsilane;2-chloro-1-fluoro-4-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene?

The InChIKey is RXTWUJOIPCPCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O.C13H22Si.2C11H16.C10H12ClF.C10H13F5OS.C10H12F2.2C10H13F.C10H14.C9H10Cl2.C9H10ClF.C9H11F2N.C9H10F2.C9H12FN.C8H11ClS.4CH4/c1-9(2)12-7-10(3)8-13-11(12)5-4-6-14-13;1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;2*1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)7-4-8(11)6-9(12)5-7;1-10(2,3)8-4-6-9(7-5-8)16-17(11,12,13,14)15;1-6(2)10-8(11)4-7(3)5-9(10)12;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-5-4-8(3)6-10(9)11;1-8(2)10-6-4-9(3)5-7-10;1-6(2)7-3-8(10)5-9(11)4-7;1-6(2)7-3-4-9(11)8(10)5-7;1-9(2,3)6-4-7(10)8(11)12-5-6;1-6(2)7-3-4-8(10)9(11)5-7;1-9(2,3)7-4-8(10)6-11-5-7;1-8(2,3)6-4-5-7(9)10-6;;;;/h7-9H,4-6H2,1-3H3;7-10H,1-6H3;2*5-8H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;4-8H,1-3H3;2*3-6H,1-2H3;4-5H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;4-5H,1-3H3;4*1H4.

What are the key properties of 1-tert-butyl-3-chloro-5-fluorobenzene;2-tert-butyl-5-chlorothiophene;5-tert-butyl-2,3-difluoropyridine;3-tert-butyl-5-fluoropyridine;bis(1-tert-butyl-3-methylbenzene);(4-tert-butylphenoxy)-pentafluoro-λ6-sulfane;(4-tert-butylphenyl)-trimethylsilane;2-chloro-1-fluoro-4-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene?

1-tert-butyl-3-chloro-5-fluorobenzene;2-tert-butyl-5-chlorothiophene;5-tert-butyl-2,3-difluoropyridine;3-tert-butyl-5-fluoropyridine;bis(1-tert-butyl-3-methylbenzene);(4-tert-butylphenoxy)-pentafluoro-λ6-sulfane;(4-tert-butylphenyl)-trimethylsilane;2-chloro-1-fluoro-4-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene has a molecular weight of 2846.11 g/mol, XLogP of 58.17, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-3-chloro-5-fluorobenzene;2-tert-butyl-5-chlorothiophene;5-tert-butyl-2,3-difluoropyridine;3-tert-butyl-5-fluoropyridine;bis(1-tert-butyl-3-methylbenzene);(4-tert-butylphenoxy)-pentafluoro-λ6-sulfane;(4-tert-butylphenyl)-trimethylsilane;2-chloro-1-fluoro-4-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;7-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 160758770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).