2-but-3-yn-2-yl-4-fluoro-1-propan-2-ylbenzene;3,5-diethyl-4-propan-2-yl-1H-pyrazole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;4-fluoro-1,2-di(propan-2-yl)benzene;1-[3-(1-hydroxyethyl)-2-propan-2-ylphenyl]ethanol;5-(2-methylpropyl)-1,2-oxazole;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole

C124H174F6N10O5 — CID 164988470

About 2-but-3-yn-2-yl-4-fluoro-1-propan-2-ylbenzene;3,5-diethyl-4-propan-2-yl-1H-pyrazole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;4-fluoro-1,2-di(propan-2-yl)benzene;1-[3-(1-hydroxyethyl)-2-propan-2-ylphenyl]ethanol;5-(2-methylpropyl)-1,2-oxazole;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole

2-but-3-yn-2-yl-4-fluoro-1-propan-2-ylbenzene;3,5-diethyl-4-propan-2-yl-1H-pyrazole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;4-fluoro-1,2-di(propan-2-yl)benzene;1-[3-(1-hydroxyethyl)-2-propan-2-ylphenyl]ethanol;5-(2-methylpropyl)-1,2-oxazole;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole (PubChem CID 164988470) has the molecular formula C124H174F6N10O5 and a molecular weight of 1998.81 g/mol. Its IUPAC name is 2-but-3-yn-2-yl-4-fluoro-1-propan-2-ylbenzene;3,5-diethyl-4-propan-2-yl-1H-pyrazole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;4-fluoro-1,2-di(propan-2-yl)benzene;1-[3-(1-hydroxyethyl)-2-propan-2-ylphenyl]ethanol;5-(2-methylpropyl)-1,2-oxazole;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-but-3-yn-2-yl-4-fluoro-1-propan-2-ylbenzene;3,5-diethyl-4-propan-2-yl-1H-pyrazole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;4-fluoro-1,2-di(propan-2-yl)benzene;1-[3-(1-hydroxyethyl)-2-propan-2-ylphenyl]ethanol;5-(2-methylpropyl)-1,2-oxazole;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole
• PubChem CID: 164988470
• Molecular Formula: C124H174F6N10O5
• Molecular Weight: 1998.81 g/mol
• Exact Mass: 1997.36
• IUPAC Name: 2-but-3-yn-2-yl-4-fluoro-1-propan-2-ylbenzene;3,5-diethyl-4-propan-2-yl-1H-pyrazole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;4-fluoro-1,2-di(propan-2-yl)benzene;1-[3-(1-hydroxyethyl)-2-propan-2-ylphenyl]ethanol;5-(2-methylpropyl)-1,2-oxazole;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole
• SMILES: C#CC(C)c1cc(F)ccc1C(C)C.CC(C)Cc1ccno1.CC(C)c1c(C(C)O)cccc1C(C)O.CC(C)c1ccc(F)cc1C(C)C.CC(C)c1cccc(C#N)c1.CC(C)c1ccccc1C(C)O.CC(C)c1ccccc1C(C)c1cnco1.CC(C)c1ccccc1N1CCC(F)(F)C1.CC(C)c1cccnc1N1CCC(F)(F)C1.CC(C)c1cn(C(C)C)cn1.CCc1n[nH]c(CC)c1C(C)C
• InChI: InChI=1S/C14H17NO.C13H17F2N.C13H15F.C13H20O2.C12H16F2N2.C12H17F.C11H16O.C10H18N2.C10H11N.C9H16N2.C7H11NO/c1-10(2)12-6-4-5-7-13(12)11(3)14-8-15-9-16-14;1-10(2)11-5-3-4-6-12(11)16-8-7-13(14,15)9-16;1-5-10(4)13-8-11(14)6-7-12(13)9(2)3;1-8(2)13-11(9(3)14)6-5-7-12(13)10(4)15;1-9(2)10-4-3-6-15-11(10)16-7-5-12(13,14)8-16;1-8(2)11-6-5-10(13)7-12(11)9(3)4;1-8(2)10-6-4-5-7-11(10)9(3)12;1-5-8-10(7(3)4)9(6-2)12-11-8;1-8(2)10-5-3-4-9(6-10)7-11;1-7(2)9-5-11(6-10-9)8(3)4;1-6(2)5-7-3-4-8-9-7/h4-11H,1-3H3;3-6,10H,7-9H2,1-2H3;1,6-10H,2-4H3;5-10,14-15H,1-4H3;3-4,6,9H,5,7-8H2,1-2H3;5-9H,1-4H3;4-9,12H,1-3H3;7H,5-6H2,1-4H3,(H,11,12);3-6,8H,1-2H3;5-8H,1-4H3;3-4,6H,5H2,1-2H3
• InChIKey: GMWGKLVCPBZEBI-UHFFFAOYSA-N
• XLogP: 33.99
• TPSA: 202.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 24
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1998.81
LogP ≤ 5	33.99
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-but-3-yn-2-yl-4-fluoro-1-propan-2-ylbenzene;3,5-diethyl-4-propan-2-yl-1H-pyrazole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;4-fluoro-1,2-di(propan-2-yl)benzene;1-[3-(1-hydroxyethyl)-2-propan-2-ylphenyl]ethanol;5-(2-methylpropyl)-1,2-oxazole;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole?

The IUPAC name of 2-but-3-yn-2-yl-4-fluoro-1-propan-2-ylbenzene;3,5-diethyl-4-propan-2-yl-1H-pyrazole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;4-fluoro-1,2-di(propan-2-yl)benzene;1-[3-(1-hydroxyethyl)-2-propan-2-ylphenyl]ethanol;5-(2-methylpropyl)-1,2-oxazole;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole (CID 164988470) is 2-but-3-yn-2-yl-4-fluoro-1-propan-2-ylbenzene;3,5-diethyl-4-propan-2-yl-1H-pyrazole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;4-fluoro-1,2-di(propan-2-yl)benzene;1-[3-(1-hydroxyethyl)-2-propan-2-ylphenyl]ethanol;5-(2-methylpropyl)-1,2-oxazole;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole.

What is the SMILES notation for 2-but-3-yn-2-yl-4-fluoro-1-propan-2-ylbenzene;3,5-diethyl-4-propan-2-yl-1H-pyrazole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;4-fluoro-1,2-di(propan-2-yl)benzene;1-[3-(1-hydroxyethyl)-2-propan-2-ylphenyl]ethanol;5-(2-methylpropyl)-1,2-oxazole;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole?

The canonical SMILES for 2-but-3-yn-2-yl-4-fluoro-1-propan-2-ylbenzene;3,5-diethyl-4-propan-2-yl-1H-pyrazole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;4-fluoro-1,2-di(propan-2-yl)benzene;1-[3-(1-hydroxyethyl)-2-propan-2-ylphenyl]ethanol;5-(2-methylpropyl)-1,2-oxazole;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole is C#CC(C)c1cc(F)ccc1C(C)C.CC(C)Cc1ccno1.CC(C)c1c(C(C)O)cccc1C(C)O.CC(C)c1ccc(F)cc1C(C)C.CC(C)c1cccc(C#N)c1.CC(C)c1ccccc1C(C)O.CC(C)c1ccccc1C(C)c1cnco1.CC(C)c1ccccc1N1CCC(F)(F)C1.CC(C)c1cccnc1N1CCC(F)(F)C1.CC(C)c1cn(C(C)C)cn1.CCc1n[nH]c(CC)c1C(C)C.

What is the InChIKey of 2-but-3-yn-2-yl-4-fluoro-1-propan-2-ylbenzene;3,5-diethyl-4-propan-2-yl-1H-pyrazole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;4-fluoro-1,2-di(propan-2-yl)benzene;1-[3-(1-hydroxyethyl)-2-propan-2-ylphenyl]ethanol;5-(2-methylpropyl)-1,2-oxazole;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole?

The InChIKey is GMWGKLVCPBZEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO.C13H17F2N.C13H15F.C13H20O2.C12H16F2N2.C12H17F.C11H16O.C10H18N2.C10H11N.C9H16N2.C7H11NO/c1-10(2)12-6-4-5-7-13(12)11(3)14-8-15-9-16-14;1-10(2)11-5-3-4-6-12(11)16-8-7-13(14,15)9-16;1-5-10(4)13-8-11(14)6-7-12(13)9(2)3;1-8(2)13-11(9(3)14)6-5-7-12(13)10(4)15;1-9(2)10-4-3-6-15-11(10)16-7-5-12(13,14)8-16;1-8(2)11-6-5-10(13)7-12(11)9(3)4;1-8(2)10-6-4-5-7-11(10)9(3)12;1-5-8-10(7(3)4)9(6-2)12-11-8;1-8(2)10-5-3-4-9(6-10)7-11;1-7(2)9-5-11(6-10-9)8(3)4;1-6(2)5-7-3-4-8-9-7/h4-11H,1-3H3;3-6,10H,7-9H2,1-2H3;1,6-10H,2-4H3;5-10,14-15H,1-4H3;3-4,6,9H,5,7-8H2,1-2H3;5-9H,1-4H3;4-9,12H,1-3H3;7H,5-6H2,1-4H3,(H,11,12);3-6,8H,1-2H3;5-8H,1-4H3;3-4,6H,5H2,1-2H3.

What are the key properties of 2-but-3-yn-2-yl-4-fluoro-1-propan-2-ylbenzene;3,5-diethyl-4-propan-2-yl-1H-pyrazole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;4-fluoro-1,2-di(propan-2-yl)benzene;1-[3-(1-hydroxyethyl)-2-propan-2-ylphenyl]ethanol;5-(2-methylpropyl)-1,2-oxazole;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole?

2-but-3-yn-2-yl-4-fluoro-1-propan-2-ylbenzene;3,5-diethyl-4-propan-2-yl-1H-pyrazole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;4-fluoro-1,2-di(propan-2-yl)benzene;1-[3-(1-hydroxyethyl)-2-propan-2-ylphenyl]ethanol;5-(2-methylpropyl)-1,2-oxazole;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole has a molecular weight of 1998.81 g/mol, XLogP of 33.99, 24 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-but-3-yn-2-yl-4-fluoro-1-propan-2-ylbenzene;3,5-diethyl-4-propan-2-yl-1H-pyrazole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;4-fluoro-1,2-di(propan-2-yl)benzene;1-[3-(1-hydroxyethyl)-2-propan-2-ylphenyl]ethanol;5-(2-methylpropyl)-1,2-oxazole;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole is sourced from PubChem (CID 164988470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).