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

C119H165Cl2F12N11OS — CID 159934631

IUPAC3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-(3-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine
SMILESCC(C)(C)N1CCCC1c1ccccn1.CC(C)(C)N1CCCC1c1cccs1.CC(C)(C)N1CCCC1c1cncc(F)c1.CC(C)N1CCCC1c1cc(F)cc(Cl)c1.CC(C)N1CCCC1c1cc(F)ccc1C(F)(F)F.CC(C)N1CCCC1c1cc(F)ccc1C(F)F.CC(C)N1CCCC1c1cc(F)ccc1Cl.CC(C)N1CCCC1c1cccc(F)c1.COc1ccc(F)cc1C1CCCN1C(C)C
InChIInChI=1S/C14H17F4N.C14H18F3N.C14H20FNO.2C13H17ClFN.C13H19FN2.C13H18FN.C13H20N2.C12H19NS/c1-9(2)19-7-3-4-13(19)11-8-10(15)5-6-12(11)14(16,17)18;1-9(2)18-7-3-4-13(18)12-8-10(15)5-6-11(12)14(16)17;1-10(2)16-8-4-5-13(16)12-9-11(15)6-7-14(12)17-3;1-9(2)16-7-3-4-13(16)11-8-10(15)5-6-12(11)14;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;1-10(2)15-8-4-7-13(15)11-5-3-6-12(14)9-11;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/h5-6,8-9,13H,3-4,7H2,1-2H3;5-6,8-9,13-14H,3-4,7H2,1-2H3;6-7,9-10,13H,4-5,8H2,1-3H3;5-6,8-9,13H,3-4,7H2,1-2H3;6-9,13H,3-5H2,1-2H3;7-9,12H,4-6H2,1-3H3;3,5-6,9-10,13H,4,7-8H2,1-2H3;4-5,7,9,12H,6,8,10H2,1-3H3;5,7,9-10H,4,6,8H2,1-3H3
InChIKeyOABUJEJZTNMDFE-UHFFFAOYSA-N
MW2096.65 g/mol
LogP33.35
Rot. Bonds17

About 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-(3-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-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-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-(3-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine (PubChem CID 159934631) has the molecular formula C119H165Cl2F12N11OS and a molecular weight of 2096.65 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-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-(3-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-(3-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine
PubChem CID159934631
Molecular FormulaC119H165Cl2F12N11OS
Molecular Weight2096.65 g/mol
Exact Mass2094.21
IUPAC Name3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-(3-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine
SMILESCC(C)(C)N1CCCC1c1ccccn1.CC(C)(C)N1CCCC1c1cccs1.CC(C)(C)N1CCCC1c1cncc(F)c1.CC(C)N1CCCC1c1cc(F)cc(Cl)c1.CC(C)N1CCCC1c1cc(F)ccc1C(F)(F)F.CC(C)N1CCCC1c1cc(F)ccc1C(F)F.CC(C)N1CCCC1c1cc(F)ccc1Cl.CC(C)N1CCCC1c1cccc(F)c1.COc1ccc(F)cc1C1CCCN1C(C)C
InChIInChI=1S/C14H17F4N.C14H18F3N.C14H20FNO.2C13H17ClFN.C13H19FN2.C13H18FN.C13H20N2.C12H19NS/c1-9(2)19-7-3-4-13(19)11-8-10(15)5-6-12(11)14(16,17)18;1-9(2)18-7-3-4-13(18)12-8-10(15)5-6-11(12)14(16)17;1-10(2)16-8-4-5-13(16)12-9-11(15)6-7-14(12)17-3;1-9(2)16-7-3-4-13(16)11-8-10(15)5-6-12(11)14;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;1-10(2)15-8-4-7-13(15)11-5-3-6-12(14)9-11;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/h5-6,8-9,13H,3-4,7H2,1-2H3;5-6,8-9,13-14H,3-4,7H2,1-2H3;6-7,9-10,13H,4-5,8H2,1-3H3;5-6,8-9,13H,3-4,7H2,1-2H3;6-9,13H,3-5H2,1-2H3;7-9,12H,4-6H2,1-3H3;3,5-6,9-10,13H,4,7-8H2,1-2H3;4-5,7,9,12H,6,8,10H2,1-3H3;5,7,9-10H,4,6,8H2,1-3H3
InChIKeyOABUJEJZTNMDFE-UHFFFAOYSA-N
XLogP33.35
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms146
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002096.65
LogP ≤ 533.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-(3-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine with MolForge

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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-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-(3-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-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-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-(3-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine (CID 159934631) is 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-(3-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-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-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-(3-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-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-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-(3-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-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.CC(C)N1CCCC1c1cc(F)ccc1C(F)(F)F.CC(C)N1CCCC1c1cc(F)ccc1C(F)F.CC(C)N1CCCC1c1cc(F)ccc1Cl.CC(C)N1CCCC1c1cccc(F)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-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-(3-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine?
The InChIKey is OABUJEJZTNMDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N.C14H18F3N.C14H20FNO.2C13H17ClFN.C13H19FN2.C13H18FN.C13H20N2.C12H19NS/c1-9(2)19-7-3-4-13(19)11-8-10(15)5-6-12(11)14(16,17)18;1-9(2)18-7-3-4-13(18)12-8-10(15)5-6-11(12)14(16)17;1-10(2)16-8-4-5-13(16)12-9-11(15)6-7-14(12)17-3;1-9(2)16-7-3-4-13(16)11-8-10(15)5-6-12(11)14;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;1-10(2)15-8-4-7-13(15)11-5-3-6-12(14)9-11;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/h5-6,8-9,13H,3-4,7H2,1-2H3;5-6,8-9,13-14H,3-4,7H2,1-2H3;6-7,9-10,13H,4-5,8H2,1-3H3;5-6,8-9,13H,3-4,7H2,1-2H3;6-9,13H,3-5H2,1-2H3;7-9,12H,4-6H2,1-3H3;3,5-6,9-10,13H,4,7-8H2,1-2H3;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-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-(3-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-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-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-(3-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine has a molecular weight of 2096.65 g/mol, XLogP of 33.35, 17 rotatable bonds, 0 hydrogen bond donors, and 13 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-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-(3-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 159934631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).