3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine

C65H95ClF3N7OS — CID 160579310

About 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine

3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine (PubChem CID 160579310) has the molecular formula C65H95ClF3N7OS and a molecular weight of 1115.04 g/mol. Its IUPAC name is 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine.

Molecular Properties

• Compound Name: 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine
• PubChem CID: 160579310
• Molecular Formula: C65H95ClF3N7OS
• Molecular Weight: 1115.04 g/mol
• Exact Mass: 1113.70
• IUPAC Name: 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine
• SMILES: CC(C)(C)N1CCCC1c1ccccn1.CC(C)(C)N1CCCC1c1cccs1.CC(C)(C)N1CCCC1c1cncc(F)c1.CC(C)N1CCCC1c1cc(F)cc(Cl)c1.COc1ccc(F)cc1C1CCCN1C(C)C
• InChI: InChI=1S/C14H20FNO.C13H17ClFN.C13H19FN2.C13H20N2.C12H19NS/c1-10(2)16-8-4-5-13(16)12-9-11(15)6-7-14(12)17-3;1-9(2)16-5-3-4-13(16)10-6-11(14)8-12(15)7-10;1-13(2,3)16-6-4-5-12(16)10-7-11(14)9-15-8-10;1-13(2,3)15-10-6-8-12(15)11-7-4-5-9-14-11;1-12(2,3)13-8-4-6-10(13)11-7-5-9-14-11/h6-7,9-10,13H,4-5,8H2,1-3H3;6-9,13H,3-5H2,1-2H3;7-9,12H,4-6H2,1-3H3;4-5,7,9,12H,6,8,10H2,1-3H3;5,7,9-10H,4,6,8H2,1-3H3
• InChIKey: RBOHZJGCRRVCRS-UHFFFAOYSA-N
• XLogP: 17.26
• TPSA: 51.21 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1115.04
LogP ≤ 5	17.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine?

The IUPAC name of 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine (CID 160579310) is 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine.

What is the SMILES notation for 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine?

The canonical SMILES for 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine is CC(C)(C)N1CCCC1c1ccccn1.CC(C)(C)N1CCCC1c1cccs1.CC(C)(C)N1CCCC1c1cncc(F)c1.CC(C)N1CCCC1c1cc(F)cc(Cl)c1.COc1ccc(F)cc1C1CCCN1C(C)C.

What is the InChIKey of 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine?

The InChIKey is RBOHZJGCRRVCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO.C13H17ClFN.C13H19FN2.C13H20N2.C12H19NS/c1-10(2)16-8-4-5-13(16)12-9-11(15)6-7-14(12)17-3;1-9(2)16-5-3-4-13(16)10-6-11(14)8-12(15)7-10;1-13(2,3)16-6-4-5-12(16)10-7-11(14)9-15-8-10;1-13(2,3)15-10-6-8-12(15)11-7-4-5-9-14-11;1-12(2,3)13-8-4-6-10(13)11-7-5-9-14-11/h6-7,9-10,13H,4-5,8H2,1-3H3;6-9,13H,3-5H2,1-2H3;7-9,12H,4-6H2,1-3H3;4-5,7,9,12H,6,8,10H2,1-3H3;5,7,9-10H,4,6,8H2,1-3H3.

What are the key properties of 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine?

3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine has a molecular weight of 1115.04 g/mol, XLogP of 17.26, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 160579310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).