2,6-dichloro-1H-indole;2,6-dichloro-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole;2-[2,6-dichloro-3-[[3-(trifluoromethoxy)phenyl]methyl]indol-1-yl]acetic acid;3-(trifluoromethoxy)benzaldehyde

C50H32Cl6F9N3O6 — CID 158030085

About 2,6-dichloro-1H-indole;2,6-dichloro-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole;2-[2,6-dichloro-3-[[3-(trifluoromethoxy)phenyl]methyl]indol-1-yl]acetic acid;3-(trifluoromethoxy)benzaldehyde

2,6-dichloro-1H-indole;2,6-dichloro-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole;2-[2,6-dichloro-3-[[3-(trifluoromethoxy)phenyl]methyl]indol-1-yl]acetic acid;3-(trifluoromethoxy)benzaldehyde (PubChem CID 158030085) has the molecular formula C50H32Cl6F9N3O6 and a molecular weight of 1154.52 g/mol. Its IUPAC name is 2,6-dichloro-1H-indole;2,6-dichloro-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole;2-[2,6-dichloro-3-[[3-(trifluoromethoxy)phenyl]methyl]indol-1-yl]acetic acid;3-(trifluoromethoxy)benzaldehyde.

Molecular Properties

• Compound Name: 2,6-dichloro-1H-indole;2,6-dichloro-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole;2-[2,6-dichloro-3-[[3-(trifluoromethoxy)phenyl]methyl]indol-1-yl]acetic acid;3-(trifluoromethoxy)benzaldehyde
• PubChem CID: 158030085
• Molecular Formula: C50H32Cl6F9N3O6
• Molecular Weight: 1154.52 g/mol
• Exact Mass: 1151.03
• IUPAC Name: 2,6-dichloro-1H-indole;2,6-dichloro-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole;2-[2,6-dichloro-3-[[3-(trifluoromethoxy)phenyl]methyl]indol-1-yl]acetic acid;3-(trifluoromethoxy)benzaldehyde
• SMILES: Clc1ccc2cc(Cl)[nH]c2c1.FC(F)(F)Oc1cccc(Cc2c(Cl)[nH]c3cc(Cl)ccc23)c1.O=C(O)Cn1c(Cl)c(Cc2cccc(OC(F)(F)F)c2)c2ccc(Cl)cc21.O=Cc1cccc(OC(F)(F)F)c1
• InChI: InChI=1S/C18H12Cl2F3NO3.C16H10Cl2F3NO.C8H5Cl2N.C8H5F3O2/c19-11-4-5-13-14(17(20)24(9-16(25)26)15(13)8-11)7-10-2-1-3-12(6-10)27-18(21,22)23;17-10-4-5-12-13(15(18)22-14(12)8-10)7-9-2-1-3-11(6-9)23-16(19,20)21;9-6-2-1-5-3-8(10)11-7(5)4-6;9-8(10,11)13-7-3-1-2-6(4-7)5-12/h1-6,8H,7,9H2,(H,25,26);1-6,8,22H,7H2;1-4,11H;1-5H
• InChIKey: FHBPXNIEMDMZNO-UHFFFAOYSA-N
• XLogP: 17.36
• TPSA: 118.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1154.52
LogP ≤ 5	17.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1H-indole;2,6-dichloro-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole;2-[2,6-dichloro-3-[[3-(trifluoromethoxy)phenyl]methyl]indol-1-yl]acetic acid;3-(trifluoromethoxy)benzaldehyde?

The IUPAC name of 2,6-dichloro-1H-indole;2,6-dichloro-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole;2-[2,6-dichloro-3-[[3-(trifluoromethoxy)phenyl]methyl]indol-1-yl]acetic acid;3-(trifluoromethoxy)benzaldehyde (CID 158030085) is 2,6-dichloro-1H-indole;2,6-dichloro-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole;2-[2,6-dichloro-3-[[3-(trifluoromethoxy)phenyl]methyl]indol-1-yl]acetic acid;3-(trifluoromethoxy)benzaldehyde.

What is the SMILES notation for 2,6-dichloro-1H-indole;2,6-dichloro-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole;2-[2,6-dichloro-3-[[3-(trifluoromethoxy)phenyl]methyl]indol-1-yl]acetic acid;3-(trifluoromethoxy)benzaldehyde?

The canonical SMILES for 2,6-dichloro-1H-indole;2,6-dichloro-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole;2-[2,6-dichloro-3-[[3-(trifluoromethoxy)phenyl]methyl]indol-1-yl]acetic acid;3-(trifluoromethoxy)benzaldehyde is Clc1ccc2cc(Cl)[nH]c2c1.FC(F)(F)Oc1cccc(Cc2c(Cl)[nH]c3cc(Cl)ccc23)c1.O=C(O)Cn1c(Cl)c(Cc2cccc(OC(F)(F)F)c2)c2ccc(Cl)cc21.O=Cc1cccc(OC(F)(F)F)c1.

What is the InChIKey of 2,6-dichloro-1H-indole;2,6-dichloro-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole;2-[2,6-dichloro-3-[[3-(trifluoromethoxy)phenyl]methyl]indol-1-yl]acetic acid;3-(trifluoromethoxy)benzaldehyde?

The InChIKey is FHBPXNIEMDMZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2F3NO3.C16H10Cl2F3NO.C8H5Cl2N.C8H5F3O2/c19-11-4-5-13-14(17(20)24(9-16(25)26)15(13)8-11)7-10-2-1-3-12(6-10)27-18(21,22)23;17-10-4-5-12-13(15(18)22-14(12)8-10)7-9-2-1-3-11(6-9)23-16(19,20)21;9-6-2-1-5-3-8(10)11-7(5)4-6;9-8(10,11)13-7-3-1-2-6(4-7)5-12/h1-6,8H,7,9H2,(H,25,26);1-6,8,22H,7H2;1-4,11H;1-5H.

What are the key properties of 2,6-dichloro-1H-indole;2,6-dichloro-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole;2-[2,6-dichloro-3-[[3-(trifluoromethoxy)phenyl]methyl]indol-1-yl]acetic acid;3-(trifluoromethoxy)benzaldehyde?

2,6-dichloro-1H-indole;2,6-dichloro-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole;2-[2,6-dichloro-3-[[3-(trifluoromethoxy)phenyl]methyl]indol-1-yl]acetic acid;3-(trifluoromethoxy)benzaldehyde has a molecular weight of 1154.52 g/mol, XLogP of 17.36, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dichloro-1H-indole;2,6-dichloro-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole;2-[2,6-dichloro-3-[[3-(trifluoromethoxy)phenyl]methyl]indol-1-yl]acetic acid;3-(trifluoromethoxy)benzaldehyde is sourced from PubChem (CID 158030085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).