5-tert-butyl-3-chloro-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1-tert-butyl-3-chloro-5-(trifluoromethoxy)benzene;4-tert-butyl-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidine;5-tert-butyl-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidine;4-tert-butyl-1-[(3,5-dichlorophenyl)-phenylmethyl]piperidine;1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[(2,6-dichlorophenyl)methyl]-4-propan-2-ylpiperidine

C157H199Cl12F28N9O3 — CID 162040041

About 5-tert-butyl-3-chloro-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1-tert-butyl-3-chloro-5-(trifluoromethoxy)benzene;4-tert-butyl-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidine;5-tert-butyl-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidine;4-tert-butyl-1-[(3,5-dichlorophenyl)-phenylmethyl]piperidine;1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[(2,6-dichlorophenyl)methyl]-4-propan-2-ylpiperidine

5-tert-butyl-3-chloro-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1-tert-butyl-3-chloro-5-(trifluoromethoxy)benzene;4-tert-butyl-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidine;5-tert-butyl-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidine;4-tert-butyl-1-[(3,5-dichlorophenyl)-phenylmethyl]piperidine;1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[(2,6-dichlorophenyl)methyl]-4-propan-2-ylpiperidine (PubChem CID 162040041) has the molecular formula C157H199Cl12F28N9O3 and a molecular weight of 3217.76 g/mol. Its IUPAC name is 5-tert-butyl-3-chloro-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1-tert-butyl-3-chloro-5-(trifluoromethoxy)benzene;4-tert-butyl-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidine;5-tert-butyl-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidine;4-tert-butyl-1-[(3,5-dichlorophenyl)-phenylmethyl]piperidine;1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[(2,6-dichlorophenyl)methyl]-4-propan-2-ylpiperidine.

Molecular Properties

• Compound Name: 5-tert-butyl-3-chloro-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1-tert-butyl-3-chloro-5-(trifluoromethoxy)benzene;4-tert-butyl-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidine;5-tert-butyl-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidine;4-tert-butyl-1-[(3,5-dichlorophenyl)-phenylmethyl]piperidine;1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[(2,6-dichlorophenyl)methyl]-4-propan-2-ylpiperidine
• PubChem CID: 162040041
• Molecular Formula: C157H199Cl12F28N9O3
• Molecular Weight: 3217.76 g/mol
• Exact Mass: 3210.15
• IUPAC Name: 5-tert-butyl-3-chloro-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1-tert-butyl-3-chloro-5-(trifluoromethoxy)benzene;4-tert-butyl-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidine;5-tert-butyl-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidine;4-tert-butyl-1-[(3,5-dichlorophenyl)-phenylmethyl]piperidine;1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[(2,6-dichlorophenyl)methyl]-4-propan-2-ylpiperidine
• SMILES: CC(C)(C)C1(F)CCN(Cc2cc(Cl)cc(C(F)(F)F)c2)CC1.CC(C)(C)C1CCN(C(c2ccccc2)c2cc(Cl)cc(Cl)c2)CC1.CC(C)(C)c1cc(Cl)cc(OC(F)(F)F)c1.CC(C)(C)c1cnc(OCC(F)(F)C(F)F)c(C2CC2)c1.CC(C)(C)c1cnc(OCC(F)(F)C(F)F)c(Cl)c1.CC(C)C1(F)CCN(Cc2cc(C(F)(F)F)cc(Cl)c2F)CC1.CC(C)C1CCN(Cc2c(Cl)cccc2Cl)CC1.CC(C)C1CCN(Cc2cc(C(F)(F)F)cc(Cl)c2F)CC1.CC(C)C1CCN(Cc2cc(Cl)ccc2C(F)(F)F)CC1.C[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC(F)(C(C)(C)C)CC1
• InChI: InChI=1S/C22H27Cl2N.C17H24Cl2FN.C17H22ClF4N.C16H19ClF5N.C16H20ClF4N.C16H21ClF3N.C15H21Cl2N.C15H19F4NO.C12H14ClF4NO.C11H12ClF3O/c1-22(2,3)18-9-11-25(12-10-18)21(16-7-5-4-6-8-16)17-13-19(23)15-20(24)14-17;1-12(13-9-14(18)11-15(19)10-13)21-7-5-17(20,6-8-21)16(2,3)4;1-15(2,3)16(19)4-6-23(7-5-16)11-12-8-13(17(20,21)22)10-14(18)9-12;1-10(2)15(19)3-5-23(6-4-15)9-11-7-12(16(20,21)22)8-13(17)14(11)18;1-10(2)11-3-5-22(6-4-11)9-12-7-13(16(19,20)21)8-14(17)15(12)18;1-11(2)12-5-7-21(8-6-12)10-13-9-14(17)3-4-15(13)16(18,19)20;1-11(2)12-6-8-18(9-7-12)10-13-14(16)4-3-5-15(13)17;1-14(2,3)10-6-11(9-4-5-9)12(20-7-10)21-8-15(18,19)13(16)17;1-11(2,3)7-4-8(13)9(18-5-7)19-6-12(16,17)10(14)15;1-10(2,3)7-4-8(12)6-9(5-7)16-11(13,14)15/h4-8,13-15,18,21H,9-12H2,1-3H3;9-12H,5-8H2,1-4H3;8-10H,4-7,11H2,1-3H3;7-8,10H,3-6,9H2,1-2H3;7-8,10-11H,3-6,9H2,1-2H3;3-4,9,11-12H,5-8,10H2,1-2H3;3-5,11-12H,6-10H2,1-2H3;6-7,9,13H,4-5,8H2,1-3H3;4-5,10H,6H2,1-3H3;4-6H,1-3H3/t;12-;;;;;;;;/m.0......../s1
• InChIKey: YXDQOVARZLMZPZ-CGTOXLFCSA-N
• XLogP: 52.75
• TPSA: 76.15 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 29
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3217.76
LogP ≤ 5	52.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-chloro-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1-tert-butyl-3-chloro-5-(trifluoromethoxy)benzene;4-tert-butyl-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidine;5-tert-butyl-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidine;4-tert-butyl-1-[(3,5-dichlorophenyl)-phenylmethyl]piperidine;1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[(2,6-dichlorophenyl)methyl]-4-propan-2-ylpiperidine?

The IUPAC name of 5-tert-butyl-3-chloro-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1-tert-butyl-3-chloro-5-(trifluoromethoxy)benzene;4-tert-butyl-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidine;5-tert-butyl-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidine;4-tert-butyl-1-[(3,5-dichlorophenyl)-phenylmethyl]piperidine;1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[(2,6-dichlorophenyl)methyl]-4-propan-2-ylpiperidine (CID 162040041) is 5-tert-butyl-3-chloro-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1-tert-butyl-3-chloro-5-(trifluoromethoxy)benzene;4-tert-butyl-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidine;5-tert-butyl-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidine;4-tert-butyl-1-[(3,5-dichlorophenyl)-phenylmethyl]piperidine;1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[(2,6-dichlorophenyl)methyl]-4-propan-2-ylpiperidine.

What is the SMILES notation for 5-tert-butyl-3-chloro-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1-tert-butyl-3-chloro-5-(trifluoromethoxy)benzene;4-tert-butyl-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidine;5-tert-butyl-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidine;4-tert-butyl-1-[(3,5-dichlorophenyl)-phenylmethyl]piperidine;1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[(2,6-dichlorophenyl)methyl]-4-propan-2-ylpiperidine?

The canonical SMILES for 5-tert-butyl-3-chloro-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1-tert-butyl-3-chloro-5-(trifluoromethoxy)benzene;4-tert-butyl-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidine;5-tert-butyl-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidine;4-tert-butyl-1-[(3,5-dichlorophenyl)-phenylmethyl]piperidine;1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[(2,6-dichlorophenyl)methyl]-4-propan-2-ylpiperidine is CC(C)(C)C1(F)CCN(Cc2cc(Cl)cc(C(F)(F)F)c2)CC1.CC(C)(C)C1CCN(C(c2ccccc2)c2cc(Cl)cc(Cl)c2)CC1.CC(C)(C)c1cc(Cl)cc(OC(F)(F)F)c1.CC(C)(C)c1cnc(OCC(F)(F)C(F)F)c(C2CC2)c1.CC(C)(C)c1cnc(OCC(F)(F)C(F)F)c(Cl)c1.CC(C)C1(F)CCN(Cc2cc(C(F)(F)F)cc(Cl)c2F)CC1.CC(C)C1CCN(Cc2c(Cl)cccc2Cl)CC1.CC(C)C1CCN(Cc2cc(C(F)(F)F)cc(Cl)c2F)CC1.CC(C)C1CCN(Cc2cc(Cl)ccc2C(F)(F)F)CC1.C[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC(F)(C(C)(C)C)CC1.

What is the InChIKey of 5-tert-butyl-3-chloro-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1-tert-butyl-3-chloro-5-(trifluoromethoxy)benzene;4-tert-butyl-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidine;5-tert-butyl-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidine;4-tert-butyl-1-[(3,5-dichlorophenyl)-phenylmethyl]piperidine;1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[(2,6-dichlorophenyl)methyl]-4-propan-2-ylpiperidine?

The InChIKey is YXDQOVARZLMZPZ-CGTOXLFCSA-N. The full InChI is InChI=1S/C22H27Cl2N.C17H24Cl2FN.C17H22ClF4N.C16H19ClF5N.C16H20ClF4N.C16H21ClF3N.C15H21Cl2N.C15H19F4NO.C12H14ClF4NO.C11H12ClF3O/c1-22(2,3)18-9-11-25(12-10-18)21(16-7-5-4-6-8-16)17-13-19(23)15-20(24)14-17;1-12(13-9-14(18)11-15(19)10-13)21-7-5-17(20,6-8-21)16(2,3)4;1-15(2,3)16(19)4-6-23(7-5-16)11-12-8-13(17(20,21)22)10-14(18)9-12;1-10(2)15(19)3-5-23(6-4-15)9-11-7-12(16(20,21)22)8-13(17)14(11)18;1-10(2)11-3-5-22(6-4-11)9-12-7-13(16(19,20)21)8-14(17)15(12)18;1-11(2)12-5-7-21(8-6-12)10-13-9-14(17)3-4-15(13)16(18,19)20;1-11(2)12-6-8-18(9-7-12)10-13-14(16)4-3-5-15(13)17;1-14(2,3)10-6-11(9-4-5-9)12(20-7-10)21-8-15(18,19)13(16)17;1-11(2,3)7-4-8(13)9(18-5-7)19-6-12(16,17)10(14)15;1-10(2,3)7-4-8(12)6-9(5-7)16-11(13,14)15/h4-8,13-15,18,21H,9-12H2,1-3H3;9-12H,5-8H2,1-4H3;8-10H,4-7,11H2,1-3H3;7-8,10H,3-6,9H2,1-2H3;7-8,10-11H,3-6,9H2,1-2H3;3-4,9,11-12H,5-8,10H2,1-2H3;3-5,11-12H,6-10H2,1-2H3;6-7,9,13H,4-5,8H2,1-3H3;4-5,10H,6H2,1-3H3;4-6H,1-3H3/t;12-;;;;;;;;/m.0......../s1.

What are the key properties of 5-tert-butyl-3-chloro-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1-tert-butyl-3-chloro-5-(trifluoromethoxy)benzene;4-tert-butyl-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidine;5-tert-butyl-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidine;4-tert-butyl-1-[(3,5-dichlorophenyl)-phenylmethyl]piperidine;1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[(2,6-dichlorophenyl)methyl]-4-propan-2-ylpiperidine?

5-tert-butyl-3-chloro-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1-tert-butyl-3-chloro-5-(trifluoromethoxy)benzene;4-tert-butyl-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidine;5-tert-butyl-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidine;4-tert-butyl-1-[(3,5-dichlorophenyl)-phenylmethyl]piperidine;1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[(2,6-dichlorophenyl)methyl]-4-propan-2-ylpiperidine has a molecular weight of 3217.76 g/mol, XLogP of 52.75, 29 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-3-chloro-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1-tert-butyl-3-chloro-5-(trifluoromethoxy)benzene;4-tert-butyl-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidine;5-tert-butyl-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidine;4-tert-butyl-1-[(3,5-dichlorophenyl)-phenylmethyl]piperidine;1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[(2,6-dichlorophenyl)methyl]-4-propan-2-ylpiperidine is sourced from PubChem (CID 162040041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).