1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol;1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone;2-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-4-nitro-2H-imidazole;1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;4-nitro-4H-pyrazole;5-pyridin-2-yl-1,2,5-oxadiazol-5-ium-3-carboxylic acid

C116H88F28N27O15+ — CID 158407505

About 1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol;1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone;2-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-4-nitro-2H-imidazole;1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;4-nitro-4H-pyrazole;5-pyridin-2-yl-1,2,5-oxadiazol-5-ium-3-carboxylic acid

1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol;1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone;2-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-4-nitro-2H-imidazole;1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;4-nitro-4H-pyrazole;5-pyridin-2-yl-1,2,5-oxadiazol-5-ium-3-carboxylic acid (PubChem CID 158407505) has the molecular formula C116H88F28N27O15+ and a molecular weight of 2632.10 g/mol. Its IUPAC name is 1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol;1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone;2-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-4-nitro-2H-imidazole;1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;4-nitro-4H-pyrazole;5-pyridin-2-yl-1,2,5-oxadiazol-5-ium-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol;1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone;2-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-4-nitro-2H-imidazole;1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;4-nitro-4H-pyrazole;5-pyridin-2-yl-1,2,5-oxadiazol-5-ium-3-carboxylic acid
• PubChem CID: 158407505
• Molecular Formula: C116H88F28N27O15+
• Molecular Weight: 2632.10 g/mol
• Exact Mass: 2630.65
• IUPAC Name: 1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol;1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone;2-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-4-nitro-2H-imidazole;1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;4-nitro-4H-pyrazole;5-pyridin-2-yl-1,2,5-oxadiazol-5-ium-3-carboxylic acid
• SMILES: CC(=O)c1ccc(F)cc1C(F)(F)F.CC(O)c1ccc(F)cc1C(F)(F)F.CC(c1ccc(F)cc1C(F)(F)F)C1N=CC([N+](=O)[O-])=N1.CC(c1ccc(F)cc1C(F)(F)F)n1cc(N)cn1.CC(c1ccc(F)cc1C(F)(F)F)n1cc(NC(=O)c2cc(-c3ccccn3)on2)cn1.C[C@@H](c1ccc(F)cc1C(F)(F)F)n1cc(NC(=O)c2cc(-c3ccccn3)on2)cn1.C[C@H](c1ccc(F)cc1C(F)(F)F)n1cc(NC(=O)c2cc(-c3ccccn3)on2)cn1.O=C(O)c1c[n+](-c2ccccn2)on1.O=[N+]([O-])C1C=NN=C1
• InChI: InChI=1S/3C21H15F4N5O2.C12H9F4N3O2.C12H11F4N3.C9H8F4O.C9H6F4O.C8H5N3O3.C3H3N3O2/c3*1-12(15-6-5-13(22)8-16(15)21(23,24)25)30-11-14(10-27-30)28-20(31)18-9-19(32-29-18)17-4-2-3-7-26-17;1-6(11-17-5-10(18-11)19(20)21)8-3-2-7(13)4-9(8)12(14,15)16;1-7(19-6-9(17)5-18-19)10-3-2-8(13)4-11(10)12(14,15)16;2*1-5(14)7-3-2-6(10)4-8(7)9(11,12)13;12-8(13)6-5-11(14-10-6)7-3-1-2-4-9-7;7-6(8)3-1-4-5-2-3/h3*2-12H,1H3,(H,28,31);2-6,11H,1H3;2-7H,17H2,1H3;2-5,14H,1H3;2-4H,1H3;1-5H;1-3H/p+1/t2*12-;;;;;;;/m10......./s1
• InChIKey: GUCJSKMCKJUDEL-KYPPZFHSSA-O
• XLogP: 26.82
• TPSA: 554.48 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 24
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2632.10
LogP ≤ 5	26.82
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol;1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone;2-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-4-nitro-2H-imidazole;1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;4-nitro-4H-pyrazole;5-pyridin-2-yl-1,2,5-oxadiazol-5-ium-3-carboxylic acid?

The IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol;1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone;2-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-4-nitro-2H-imidazole;1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;4-nitro-4H-pyrazole;5-pyridin-2-yl-1,2,5-oxadiazol-5-ium-3-carboxylic acid (CID 158407505) is 1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol;1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone;2-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-4-nitro-2H-imidazole;1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;4-nitro-4H-pyrazole;5-pyridin-2-yl-1,2,5-oxadiazol-5-ium-3-carboxylic acid.

What is the SMILES notation for 1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol;1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone;2-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-4-nitro-2H-imidazole;1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;4-nitro-4H-pyrazole;5-pyridin-2-yl-1,2,5-oxadiazol-5-ium-3-carboxylic acid?

The canonical SMILES for 1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol;1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone;2-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-4-nitro-2H-imidazole;1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;4-nitro-4H-pyrazole;5-pyridin-2-yl-1,2,5-oxadiazol-5-ium-3-carboxylic acid is CC(=O)c1ccc(F)cc1C(F)(F)F.CC(O)c1ccc(F)cc1C(F)(F)F.CC(c1ccc(F)cc1C(F)(F)F)C1N=CC([N+](=O)[O-])=N1.CC(c1ccc(F)cc1C(F)(F)F)n1cc(N)cn1.CC(c1ccc(F)cc1C(F)(F)F)n1cc(NC(=O)c2cc(-c3ccccn3)on2)cn1.C[C@@H](c1ccc(F)cc1C(F)(F)F)n1cc(NC(=O)c2cc(-c3ccccn3)on2)cn1.C[C@H](c1ccc(F)cc1C(F)(F)F)n1cc(NC(=O)c2cc(-c3ccccn3)on2)cn1.O=C(O)c1c[n+](-c2ccccn2)on1.O=[N+]([O-])C1C=NN=C1.

What is the InChIKey of 1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol;1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone;2-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-4-nitro-2H-imidazole;1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;4-nitro-4H-pyrazole;5-pyridin-2-yl-1,2,5-oxadiazol-5-ium-3-carboxylic acid?

The InChIKey is GUCJSKMCKJUDEL-KYPPZFHSSA-O. The full InChI is InChI=1S/3C21H15F4N5O2.C12H9F4N3O2.C12H11F4N3.C9H8F4O.C9H6F4O.C8H5N3O3.C3H3N3O2/c3*1-12(15-6-5-13(22)8-16(15)21(23,24)25)30-11-14(10-27-30)28-20(31)18-9-19(32-29-18)17-4-2-3-7-26-17;1-6(11-17-5-10(18-11)19(20)21)8-3-2-7(13)4-9(8)12(14,15)16;1-7(19-6-9(17)5-18-19)10-3-2-8(13)4-11(10)12(14,15)16;2*1-5(14)7-3-2-6(10)4-8(7)9(11,12)13;12-8(13)6-5-11(14-10-6)7-3-1-2-4-9-7;7-6(8)3-1-4-5-2-3/h3*2-12H,1H3,(H,28,31);2-6,11H,1H3;2-7H,17H2,1H3;2-5,14H,1H3;2-4H,1H3;1-5H;1-3H/p+1/t2*12-;;;;;;;/m10......./s1.

What are the key properties of 1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol;1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone;2-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-4-nitro-2H-imidazole;1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;4-nitro-4H-pyrazole;5-pyridin-2-yl-1,2,5-oxadiazol-5-ium-3-carboxylic acid?

1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol;1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone;2-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-4-nitro-2H-imidazole;1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;4-nitro-4H-pyrazole;5-pyridin-2-yl-1,2,5-oxadiazol-5-ium-3-carboxylic acid has a molecular weight of 2632.10 g/mol, XLogP of 26.82, 24 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol;1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone;2-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-4-nitro-2H-imidazole;1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;4-nitro-4H-pyrazole;5-pyridin-2-yl-1,2,5-oxadiazol-5-ium-3-carboxylic acid is sourced from PubChem (CID 158407505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).