2-amino-5-(trifluoromethyl)phenol;2-chloro-6-(trifluoromethyl)-1,3-benzoxazole;ethyl 2-amino-1-methylbenzimidazole-5-carboxylate;ethyl 1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxylate;N-(2-methoxyethyl)-1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide;1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxylic acid;2-nitro-5-(trifluoromethyl)phenol;6-(trifluoromethyl)-3H-1,3-benzoxazole-2-thione;3-(trifluoromethyl)phenol

C104H79ClF24N20O18S — CID 158925544

About 2-amino-5-(trifluoromethyl)phenol;2-chloro-6-(trifluoromethyl)-1,3-benzoxazole;ethyl 2-amino-1-methylbenzimidazole-5-carboxylate;ethyl 1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxylate;N-(2-methoxyethyl)-1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide;1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxylic acid;2-nitro-5-(trifluoromethyl)phenol;6-(trifluoromethyl)-3H-1,3-benzoxazole-2-thione;3-(trifluoromethyl)phenol

2-amino-5-(trifluoromethyl)phenol;2-chloro-6-(trifluoromethyl)-1,3-benzoxazole;ethyl 2-amino-1-methylbenzimidazole-5-carboxylate;ethyl 1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxylate;N-(2-methoxyethyl)-1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide;1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxylic acid;2-nitro-5-(trifluoromethyl)phenol;6-(trifluoromethyl)-3H-1,3-benzoxazole-2-thione;3-(trifluoromethyl)phenol (PubChem CID 158925544) has the molecular formula C104H79ClF24N20O18S and a molecular weight of 2420.37 g/mol. Its IUPAC name is 2-amino-5-(trifluoromethyl)phenol;2-chloro-6-(trifluoromethyl)-1,3-benzoxazole;ethyl 2-amino-1-methylbenzimidazole-5-carboxylate;ethyl 1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxylate;N-(2-methoxyethyl)-1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide;1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxylic acid;2-nitro-5-(trifluoromethyl)phenol;6-(trifluoromethyl)-3H-1,3-benzoxazole-2-thione;3-(trifluoromethyl)phenol.

Molecular Properties

• Compound Name: 2-amino-5-(trifluoromethyl)phenol;2-chloro-6-(trifluoromethyl)-1,3-benzoxazole;ethyl 2-amino-1-methylbenzimidazole-5-carboxylate;ethyl 1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxylate;N-(2-methoxyethyl)-1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide;1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxylic acid;2-nitro-5-(trifluoromethyl)phenol;6-(trifluoromethyl)-3H-1,3-benzoxazole-2-thione;3-(trifluoromethyl)phenol
• PubChem CID: 158925544
• Molecular Formula: C104H79ClF24N20O18S
• Molecular Weight: 2420.37 g/mol
• Exact Mass: 2418.49
• IUPAC Name: 2-amino-5-(trifluoromethyl)phenol;2-chloro-6-(trifluoromethyl)-1,3-benzoxazole;ethyl 2-amino-1-methylbenzimidazole-5-carboxylate;ethyl 1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxylate;N-(2-methoxyethyl)-1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide;1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxylic acid;2-nitro-5-(trifluoromethyl)phenol;6-(trifluoromethyl)-3H-1,3-benzoxazole-2-thione;3-(trifluoromethyl)phenol
• SMILES: CCOC(=O)c1ccc2c(c1)nc(N)n2C.CCOC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(C(F)(F)F)cc3o1)n2C.COCCNC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(C(F)(F)F)cc3o1)n2C.Cn1c(Nc2nc3ccc(C(F)(F)F)cc3o2)nc2cc(C(=O)O)ccc21.FC(F)(F)c1ccc2[nH]c(=S)oc2c1.FC(F)(F)c1ccc2nc(Cl)oc2c1.Nc1ccc(C(F)(F)F)cc1O.O=[N+]([O-])c1ccc(C(F)(F)F)cc1O.Oc1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C20H18F3N5O3.C19H15F3N4O3.C17H11F3N4O3.C11H13N3O2.C8H3ClF3NO.C8H4F3NOS.C7H4F3NO3.C7H6F3NO.C7H5F3O/c1-28-15-6-3-11(17(29)24-7-8-30-2)9-14(15)25-18(28)27-19-26-13-5-4-12(20(21,22)23)10-16(13)31-19;1-3-28-16(27)10-4-7-14-13(8-10)23-17(26(14)2)25-18-24-12-6-5-11(19(20,21)22)9-15(12)29-18;1-24-12-5-2-8(14(25)26)6-11(12)21-15(24)23-16-22-10-4-3-9(17(18,19)20)7-13(10)27-16;1-3-16-10(15)7-4-5-9-8(6-7)13-11(12)14(9)2;9-7-13-5-2-1-4(8(10,11)12)3-6(5)14-7;9-8(10,11)4-1-2-5-6(3-4)13-7(14)12-5;8-7(9,10)4-1-2-5(11(13)14)6(12)3-4;8-7(9,10)4-1-2-5(11)6(12)3-4;8-7(9,10)5-2-1-3-6(11)4-5/h3-6,9-10H,7-8H2,1-2H3,(H,24,29)(H,25,26,27);4-9H,3H2,1-2H3,(H,23,24,25);2-7H,1H3,(H,25,26)(H,21,22,23);4-6H,3H2,1-2H3,(H2,12,13);1-3H;1-3H,(H,12,14);1-3,12H;1-3,12H,11H2;1-4,11H
• InChIKey: JIJWUDQUEBDRRM-UHFFFAOYSA-N
• XLogP: 27.75
• TPSA: 524.52 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 35
• Rotatable Bonds: 16
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2420.37
LogP ≤ 5	27.75
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(trifluoromethyl)phenol;2-chloro-6-(trifluoromethyl)-1,3-benzoxazole;ethyl 2-amino-1-methylbenzimidazole-5-carboxylate;ethyl 1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxylate;N-(2-methoxyethyl)-1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide;1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxylic acid;2-nitro-5-(trifluoromethyl)phenol;6-(trifluoromethyl)-3H-1,3-benzoxazole-2-thione;3-(trifluoromethyl)phenol?

The IUPAC name of 2-amino-5-(trifluoromethyl)phenol;2-chloro-6-(trifluoromethyl)-1,3-benzoxazole;ethyl 2-amino-1-methylbenzimidazole-5-carboxylate;ethyl 1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxylate;N-(2-methoxyethyl)-1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide;1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxylic acid;2-nitro-5-(trifluoromethyl)phenol;6-(trifluoromethyl)-3H-1,3-benzoxazole-2-thione;3-(trifluoromethyl)phenol (CID 158925544) is 2-amino-5-(trifluoromethyl)phenol;2-chloro-6-(trifluoromethyl)-1,3-benzoxazole;ethyl 2-amino-1-methylbenzimidazole-5-carboxylate;ethyl 1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxylate;N-(2-methoxyethyl)-1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide;1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxylic acid;2-nitro-5-(trifluoromethyl)phenol;6-(trifluoromethyl)-3H-1,3-benzoxazole-2-thione;3-(trifluoromethyl)phenol.

What is the SMILES notation for 2-amino-5-(trifluoromethyl)phenol;2-chloro-6-(trifluoromethyl)-1,3-benzoxazole;ethyl 2-amino-1-methylbenzimidazole-5-carboxylate;ethyl 1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxylate;N-(2-methoxyethyl)-1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide;1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxylic acid;2-nitro-5-(trifluoromethyl)phenol;6-(trifluoromethyl)-3H-1,3-benzoxazole-2-thione;3-(trifluoromethyl)phenol?

The canonical SMILES for 2-amino-5-(trifluoromethyl)phenol;2-chloro-6-(trifluoromethyl)-1,3-benzoxazole;ethyl 2-amino-1-methylbenzimidazole-5-carboxylate;ethyl 1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxylate;N-(2-methoxyethyl)-1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide;1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxylic acid;2-nitro-5-(trifluoromethyl)phenol;6-(trifluoromethyl)-3H-1,3-benzoxazole-2-thione;3-(trifluoromethyl)phenol is CCOC(=O)c1ccc2c(c1)nc(N)n2C.CCOC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(C(F)(F)F)cc3o1)n2C.COCCNC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(C(F)(F)F)cc3o1)n2C.Cn1c(Nc2nc3ccc(C(F)(F)F)cc3o2)nc2cc(C(=O)O)ccc21.FC(F)(F)c1ccc2[nH]c(=S)oc2c1.FC(F)(F)c1ccc2nc(Cl)oc2c1.Nc1ccc(C(F)(F)F)cc1O.O=[N+]([O-])c1ccc(C(F)(F)F)cc1O.Oc1cccc(C(F)(F)F)c1.

What is the InChIKey of 2-amino-5-(trifluoromethyl)phenol;2-chloro-6-(trifluoromethyl)-1,3-benzoxazole;ethyl 2-amino-1-methylbenzimidazole-5-carboxylate;ethyl 1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxylate;N-(2-methoxyethyl)-1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide;1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxylic acid;2-nitro-5-(trifluoromethyl)phenol;6-(trifluoromethyl)-3H-1,3-benzoxazole-2-thione;3-(trifluoromethyl)phenol?

The InChIKey is JIJWUDQUEBDRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O3.C19H15F3N4O3.C17H11F3N4O3.C11H13N3O2.C8H3ClF3NO.C8H4F3NOS.C7H4F3NO3.C7H6F3NO.C7H5F3O/c1-28-15-6-3-11(17(29)24-7-8-30-2)9-14(15)25-18(28)27-19-26-13-5-4-12(20(21,22)23)10-16(13)31-19;1-3-28-16(27)10-4-7-14-13(8-10)23-17(26(14)2)25-18-24-12-6-5-11(19(20,21)22)9-15(12)29-18;1-24-12-5-2-8(14(25)26)6-11(12)21-15(24)23-16-22-10-4-3-9(17(18,19)20)7-13(10)27-16;1-3-16-10(15)7-4-5-9-8(6-7)13-11(12)14(9)2;9-7-13-5-2-1-4(8(10,11)12)3-6(5)14-7;9-8(10,11)4-1-2-5-6(3-4)13-7(14)12-5;8-7(9,10)4-1-2-5(11(13)14)6(12)3-4;8-7(9,10)4-1-2-5(11)6(12)3-4;8-7(9,10)5-2-1-3-6(11)4-5/h3-6,9-10H,7-8H2,1-2H3,(H,24,29)(H,25,26,27);4-9H,3H2,1-2H3,(H,23,24,25);2-7H,1H3,(H,25,26)(H,21,22,23);4-6H,3H2,1-2H3,(H2,12,13);1-3H;1-3H,(H,12,14);1-3,12H;1-3,12H,11H2;1-4,11H.

What are the key properties of 2-amino-5-(trifluoromethyl)phenol;2-chloro-6-(trifluoromethyl)-1,3-benzoxazole;ethyl 2-amino-1-methylbenzimidazole-5-carboxylate;ethyl 1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxylate;N-(2-methoxyethyl)-1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide;1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxylic acid;2-nitro-5-(trifluoromethyl)phenol;6-(trifluoromethyl)-3H-1,3-benzoxazole-2-thione;3-(trifluoromethyl)phenol?

2-amino-5-(trifluoromethyl)phenol;2-chloro-6-(trifluoromethyl)-1,3-benzoxazole;ethyl 2-amino-1-methylbenzimidazole-5-carboxylate;ethyl 1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxylate;N-(2-methoxyethyl)-1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide;1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxylic acid;2-nitro-5-(trifluoromethyl)phenol;6-(trifluoromethyl)-3H-1,3-benzoxazole-2-thione;3-(trifluoromethyl)phenol has a molecular weight of 2420.37 g/mol, XLogP of 27.75, 16 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-(trifluoromethyl)phenol;2-chloro-6-(trifluoromethyl)-1,3-benzoxazole;ethyl 2-amino-1-methylbenzimidazole-5-carboxylate;ethyl 1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxylate;N-(2-methoxyethyl)-1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide;1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxylic acid;2-nitro-5-(trifluoromethyl)phenol;6-(trifluoromethyl)-3H-1,3-benzoxazole-2-thione;3-(trifluoromethyl)phenol is sourced from PubChem (CID 158925544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).