3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;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;5-(2,5-difluorophenyl)-1,2,2-trimethylpyrrolidine;2-[3-fluoro-5-(2-methoxyethoxy)phenyl]-1-methylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;4-[2-[3-fluoro-5-(1-methylpyrrolidin-2-yl)phenoxy]ethyl]morpholine;[4-fluoro-2-(1-methylpyrrolidin-2-yl)phenyl]methanol;2-(3-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine

C150H204Cl2F17N13O6 — CID 157495038

IUPAC3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;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;5-(2,5-difluorophenyl)-1,2,2-trimethylpyrrolidine;2-[3-fluoro-5-(2-methoxyethoxy)phenyl]-1-methylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;4-[2-[3-fluoro-5-(1-methylpyrrolidin-2-yl)phenoxy]ethyl]morpholine;[4-fluoro-2-(1-methylpyrrolidin-2-yl)phenyl]methanol;2-(3-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine
SMILESCC(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.CN1C(c2cc(F)ccc2F)CCC1(C)C.CN1CCCC1c1cc(F)cc(OCCN2CCOCC2)c1.CN1CCCC1c1cc(F)ccc1CO.COCCOc1cc(F)cc(C2CCCN2C)c1.COc1ccc(F)cc1C1CCCN1C(C)C
InChIInChI=1S/C17H25FN2O2.C14H17F4N.C14H18F3N.C14H20FNO2.C14H20FNO.2C13H17ClFN.C13H17F2N.C13H19FN2.C13H18FN.C12H16FNO/c1-19-4-2-3-17(19)14-11-15(18)13-16(12-14)22-10-7-20-5-8-21-9-6-20;1-9(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;1-16-5-3-4-14(16)11-8-12(15)10-13(9-11)18-7-6-17-2;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)7-6-12(16(13)3)10-8-9(14)4-5-11(10)15;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;1-14-6-2-3-12(14)11-7-10(13)5-4-9(11)8-15/h11-13,17H,2-10H2,1H3;5-6,8-9,13H,3-4,7H2,1-2H3;5-6,8-9,13-14H,3-4,7H2,1-2H3;8-10,14H,3-7H2,1-2H3;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;4-5,8,12H,6-7H2,1-3H3;7-9,12H,4-6H2,1-3H3;3,5-6,9-10,13H,4,7-8H2,1-2H3;4-5,7,12,15H,2-3,6,8H2,1H3
InChIKeyBXSNJHSBPXZOMR-UHFFFAOYSA-N
MW2679.24 g/mol
LogP37.17
Rot. Bonds28

About 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;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;5-(2,5-difluorophenyl)-1,2,2-trimethylpyrrolidine;2-[3-fluoro-5-(2-methoxyethoxy)phenyl]-1-methylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;4-[2-[3-fluoro-5-(1-methylpyrrolidin-2-yl)phenoxy]ethyl]morpholine;[4-fluoro-2-(1-methylpyrrolidin-2-yl)phenyl]methanol;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-(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;5-(2,5-difluorophenyl)-1,2,2-trimethylpyrrolidine;2-[3-fluoro-5-(2-methoxyethoxy)phenyl]-1-methylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;4-[2-[3-fluoro-5-(1-methylpyrrolidin-2-yl)phenoxy]ethyl]morpholine;[4-fluoro-2-(1-methylpyrrolidin-2-yl)phenyl]methanol;2-(3-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine (PubChem CID 157495038) has the molecular formula C150H204Cl2F17N13O6 and a molecular weight of 2679.24 g/mol. Its IUPAC name is 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;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;5-(2,5-difluorophenyl)-1,2,2-trimethylpyrrolidine;2-[3-fluoro-5-(2-methoxyethoxy)phenyl]-1-methylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;4-[2-[3-fluoro-5-(1-methylpyrrolidin-2-yl)phenoxy]ethyl]morpholine;[4-fluoro-2-(1-methylpyrrolidin-2-yl)phenyl]methanol;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-(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;5-(2,5-difluorophenyl)-1,2,2-trimethylpyrrolidine;2-[3-fluoro-5-(2-methoxyethoxy)phenyl]-1-methylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;4-[2-[3-fluoro-5-(1-methylpyrrolidin-2-yl)phenoxy]ethyl]morpholine;[4-fluoro-2-(1-methylpyrrolidin-2-yl)phenyl]methanol;2-(3-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine
PubChem CID157495038
Molecular FormulaC150H204Cl2F17N13O6
Molecular Weight2679.24 g/mol
Exact Mass2676.52
IUPAC Name3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;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;5-(2,5-difluorophenyl)-1,2,2-trimethylpyrrolidine;2-[3-fluoro-5-(2-methoxyethoxy)phenyl]-1-methylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;4-[2-[3-fluoro-5-(1-methylpyrrolidin-2-yl)phenoxy]ethyl]morpholine;[4-fluoro-2-(1-methylpyrrolidin-2-yl)phenyl]methanol;2-(3-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine
SMILESCC(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.CN1C(c2cc(F)ccc2F)CCC1(C)C.CN1CCCC1c1cc(F)cc(OCCN2CCOCC2)c1.CN1CCCC1c1cc(F)ccc1CO.COCCOc1cc(F)cc(C2CCCN2C)c1.COc1ccc(F)cc1C1CCCN1C(C)C
InChIInChI=1S/C17H25FN2O2.C14H17F4N.C14H18F3N.C14H20FNO2.C14H20FNO.2C13H17ClFN.C13H17F2N.C13H19FN2.C13H18FN.C12H16FNO/c1-19-4-2-3-17(19)14-11-15(18)13-16(12-14)22-10-7-20-5-8-21-9-6-20;1-9(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;1-16-5-3-4-14(16)11-8-12(15)10-13(9-11)18-7-6-17-2;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)7-6-12(16(13)3)10-8-9(14)4-5-11(10)15;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;1-14-6-2-3-12(14)11-7-10(13)5-4-9(11)8-15/h11-13,17H,2-10H2,1H3;5-6,8-9,13H,3-4,7H2,1-2H3;5-6,8-9,13-14H,3-4,7H2,1-2H3;8-10,14H,3-7H2,1-2H3;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;4-5,8,12H,6-7H2,1-3H3;7-9,12H,4-6H2,1-3H3;3,5-6,9-10,13H,4,7-8H2,1-2H3;4-5,7,12,15H,2-3,6,8H2,1H3
InChIKeyBXSNJHSBPXZOMR-UHFFFAOYSA-N
XLogP37.17
TPSA118.15 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds28
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002679.24
LogP ≤ 537.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;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;5-(2,5-difluorophenyl)-1,2,2-trimethylpyrrolidine;2-[3-fluoro-5-(2-methoxyethoxy)phenyl]-1-methylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;4-[2-[3-fluoro-5-(1-methylpyrrolidin-2-yl)phenoxy]ethyl]morpholine;[4-fluoro-2-(1-methylpyrrolidin-2-yl)phenyl]methanol;2-(3-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine with MolForge

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Related Compounds

3-(1-Tert-butylpyrrolidin-2-yl)-5-fluoropyridine;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;5-(2,5-difluorophenyl)-1,2,2-trimethylpyrrolidine;2-[3-fluoro-5-(2-methoxyethoxy)phenyl]-1-methylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;4-[2-[3-fluoro-5-(1-methylpyrrolidin-2-yl)phenoxy]ethyl]morpholine;[5-fluoro-3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]methanol;2-(3-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine
CID 158709781
3-(2-Tert-butylcyclopentyl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;2-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;5-(2,5-difluorophenyl)-1,2,2-trimethylpyrrolidine;2-[3-fluoro-5-(2-methoxyethoxy)phenyl]-1-methylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;4-[2-[3-fluoro-5-(1-methylpyrrolidin-2-yl)phenoxy]ethyl]morpholine;[5-fluoro-3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]methanol;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine
CID 160984211
3-(1-Tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;5-(2,5-difluorophenyl)-1,2,2-trimethylpyrrolidine;2-[3-fluoro-5-(2-methoxyethoxy)phenyl]-1-methylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;4-[2-[3-fluoro-5-(1-methylpyrrolidin-2-yl)phenoxy]ethyl]morpholine;[5-fluoro-3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]methanol;2-[4-fluoro-2-(1-propan-2-ylpyrrolidin-2-yl)phenoxy]ethanol;4-[2-[4-fluoro-2-(1-propan-2-ylpyrrolidin-2-yl)phenoxy]ethyl]morpholine
CID 159814855
2-(3-Chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;5-(2,5-difluorophenyl)-1,2,2-trimethylpyrrolidine;2-[3-fluoro-5-(2-methoxyethoxy)phenyl]-1-methylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;4-[2-[3-fluoro-5-(1-methylpyrrolidin-2-yl)phenoxy]ethyl]morpholine;[5-fluoro-3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]methanol;3-fluoro-5-(1-propan-2-ylpyrrolidin-2-yl)pyridine;2-(1-propan-2-ylpyrrolidin-2-yl)pyridine
CID 161419575
3-(1-Tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;5-(2,5-difluorophenyl)-1,2,2-trimethylpyrrolidine;2-[3-fluoro-5-(2-methoxyethoxy)phenyl]-1-methylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;4-[2-[3-fluoro-5-(1-methylpyrrolidin-2-yl)phenoxy]ethyl]morpholine;[5-fluoro-3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]methanol;4-[2-[4-fluoro-2-(1-propan-2-ylpyrrolidin-2-yl)phenoxy]ethyl]morpholine
CID 161783282

Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;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;5-(2,5-difluorophenyl)-1,2,2-trimethylpyrrolidine;2-[3-fluoro-5-(2-methoxyethoxy)phenyl]-1-methylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;4-[2-[3-fluoro-5-(1-methylpyrrolidin-2-yl)phenoxy]ethyl]morpholine;[4-fluoro-2-(1-methylpyrrolidin-2-yl)phenyl]methanol;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-(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;5-(2,5-difluorophenyl)-1,2,2-trimethylpyrrolidine;2-[3-fluoro-5-(2-methoxyethoxy)phenyl]-1-methylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;4-[2-[3-fluoro-5-(1-methylpyrrolidin-2-yl)phenoxy]ethyl]morpholine;[4-fluoro-2-(1-methylpyrrolidin-2-yl)phenyl]methanol;2-(3-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine (CID 157495038) is 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;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;5-(2,5-difluorophenyl)-1,2,2-trimethylpyrrolidine;2-[3-fluoro-5-(2-methoxyethoxy)phenyl]-1-methylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;4-[2-[3-fluoro-5-(1-methylpyrrolidin-2-yl)phenoxy]ethyl]morpholine;[4-fluoro-2-(1-methylpyrrolidin-2-yl)phenyl]methanol;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-(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;5-(2,5-difluorophenyl)-1,2,2-trimethylpyrrolidine;2-[3-fluoro-5-(2-methoxyethoxy)phenyl]-1-methylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;4-[2-[3-fluoro-5-(1-methylpyrrolidin-2-yl)phenoxy]ethyl]morpholine;[4-fluoro-2-(1-methylpyrrolidin-2-yl)phenyl]methanol;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-(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;5-(2,5-difluorophenyl)-1,2,2-trimethylpyrrolidine;2-[3-fluoro-5-(2-methoxyethoxy)phenyl]-1-methylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;4-[2-[3-fluoro-5-(1-methylpyrrolidin-2-yl)phenoxy]ethyl]morpholine;[4-fluoro-2-(1-methylpyrrolidin-2-yl)phenyl]methanol;2-(3-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine is 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.CN1C(c2cc(F)ccc2F)CCC1(C)C.CN1CCCC1c1cc(F)cc(OCCN2CCOCC2)c1.CN1CCCC1c1cc(F)ccc1CO.COCCOc1cc(F)cc(C2CCCN2C)c1.COc1ccc(F)cc1C1CCCN1C(C)C.
What is the InChIKey of 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;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;5-(2,5-difluorophenyl)-1,2,2-trimethylpyrrolidine;2-[3-fluoro-5-(2-methoxyethoxy)phenyl]-1-methylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;4-[2-[3-fluoro-5-(1-methylpyrrolidin-2-yl)phenoxy]ethyl]morpholine;[4-fluoro-2-(1-methylpyrrolidin-2-yl)phenyl]methanol;2-(3-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine?
The InChIKey is BXSNJHSBPXZOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2.C14H17F4N.C14H18F3N.C14H20FNO2.C14H20FNO.2C13H17ClFN.C13H17F2N.C13H19FN2.C13H18FN.C12H16FNO/c1-19-4-2-3-17(19)14-11-15(18)13-16(12-14)22-10-7-20-5-8-21-9-6-20;1-9(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;1-16-5-3-4-14(16)11-8-12(15)10-13(9-11)18-7-6-17-2;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)7-6-12(16(13)3)10-8-9(14)4-5-11(10)15;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;1-14-6-2-3-12(14)11-7-10(13)5-4-9(11)8-15/h11-13,17H,2-10H2,1H3;5-6,8-9,13H,3-4,7H2,1-2H3;5-6,8-9,13-14H,3-4,7H2,1-2H3;8-10,14H,3-7H2,1-2H3;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;4-5,8,12H,6-7H2,1-3H3;7-9,12H,4-6H2,1-3H3;3,5-6,9-10,13H,4,7-8H2,1-2H3;4-5,7,12,15H,2-3,6,8H2,1H3.
What are the key properties of 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;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;5-(2,5-difluorophenyl)-1,2,2-trimethylpyrrolidine;2-[3-fluoro-5-(2-methoxyethoxy)phenyl]-1-methylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;4-[2-[3-fluoro-5-(1-methylpyrrolidin-2-yl)phenoxy]ethyl]morpholine;[4-fluoro-2-(1-methylpyrrolidin-2-yl)phenyl]methanol;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-(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;5-(2,5-difluorophenyl)-1,2,2-trimethylpyrrolidine;2-[3-fluoro-5-(2-methoxyethoxy)phenyl]-1-methylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;4-[2-[3-fluoro-5-(1-methylpyrrolidin-2-yl)phenoxy]ethyl]morpholine;[4-fluoro-2-(1-methylpyrrolidin-2-yl)phenyl]methanol;2-(3-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine has a molecular weight of 2679.24 g/mol, XLogP of 37.17, 28 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;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;5-(2,5-difluorophenyl)-1,2,2-trimethylpyrrolidine;2-[3-fluoro-5-(2-methoxyethoxy)phenyl]-1-methylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;4-[2-[3-fluoro-5-(1-methylpyrrolidin-2-yl)phenoxy]ethyl]morpholine;[4-fluoro-2-(1-methylpyrrolidin-2-yl)phenyl]methanol;2-(3-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 157495038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).