6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole

C133H103Cl3F18N6O2S2 — CID 158986842

IUPAC6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole
SMILESCc1ccc2c(C(CC(F)(F)F)c3ccccc3)c(-c3ccccc3)[nH]c2c1.Cc1ccc2c(C(CC(F)(F)F)c3ccco3)c(-c3ccccc3)[nH]c2c1.Cc1ccc2c(C(CC(F)(F)F)c3cccs3)c(-c3ccccc3)[nH]c2c1.FC(F)(F)CC(c1ccccc1)c1c(-c2ccccc2)[nH]c2cc(Cl)ccc12.FC(F)(F)CC(c1ccco1)c1c(-c2ccccc2)[nH]c2cc(Cl)ccc12.FC(F)(F)CC(c1cccs1)c1c(-c2ccccc2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C24H20F3N.C23H17ClF3N.C22H18F3NO.C22H18F3NS.C21H15ClF3NO.C21H15ClF3NS/c1-16-12-13-19-21(14-16)28-23(18-10-6-3-7-11-18)22(19)20(15-24(25,26)27)17-8-4-2-5-9-17;24-17-11-12-18-20(13-17)28-22(16-9-5-2-6-10-16)21(18)19(14-23(25,26)27)15-7-3-1-4-8-15;2*1-14-9-10-16-18(12-14)26-21(15-6-3-2-4-7-15)20(16)17(13-22(23,24)25)19-8-5-11-27-19;2*22-14-8-9-15-17(11-14)26-20(13-5-2-1-3-6-13)19(15)16(12-21(23,24)25)18-7-4-10-27-18/h2-14,20,28H,15H2,1H3;1-13,19,28H,14H2;2*2-12,17,26H,13H2,1H3;2*1-11,16,26H,12H2
InChIKeyJPRCSDXTLMQFFV-UHFFFAOYSA-N
MW2329.78 g/mol
LogP43.71
Rot. Bonds24

About 6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole

6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole (PubChem CID 158986842) has the molecular formula C133H103Cl3F18N6O2S2 and a molecular weight of 2329.78 g/mol. Its IUPAC name is 6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole.

Molecular Properties

Compound Name6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole
PubChem CID158986842
Molecular FormulaC133H103Cl3F18N6O2S2
Molecular Weight2329.78 g/mol
Exact Mass2326.64
IUPAC Name6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole
SMILESCc1ccc2c(C(CC(F)(F)F)c3ccccc3)c(-c3ccccc3)[nH]c2c1.Cc1ccc2c(C(CC(F)(F)F)c3ccco3)c(-c3ccccc3)[nH]c2c1.Cc1ccc2c(C(CC(F)(F)F)c3cccs3)c(-c3ccccc3)[nH]c2c1.FC(F)(F)CC(c1ccccc1)c1c(-c2ccccc2)[nH]c2cc(Cl)ccc12.FC(F)(F)CC(c1ccco1)c1c(-c2ccccc2)[nH]c2cc(Cl)ccc12.FC(F)(F)CC(c1cccs1)c1c(-c2ccccc2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C24H20F3N.C23H17ClF3N.C22H18F3NO.C22H18F3NS.C21H15ClF3NO.C21H15ClF3NS/c1-16-12-13-19-21(14-16)28-23(18-10-6-3-7-11-18)22(19)20(15-24(25,26)27)17-8-4-2-5-9-17;24-17-11-12-18-20(13-17)28-22(16-9-5-2-6-10-16)21(18)19(14-23(25,26)27)15-7-3-1-4-8-15;2*1-14-9-10-16-18(12-14)26-21(15-6-3-2-4-7-15)20(16)17(13-22(23,24)25)19-8-5-11-27-19;2*22-14-8-9-15-17(11-14)26-20(13-5-2-1-3-6-13)19(15)16(12-21(23,24)25)18-7-4-10-27-18/h2-14,20,28H,15H2,1H3;1-13,19,28H,14H2;2*2-12,17,26H,13H2,1H3;2*1-11,16,26H,12H2
InChIKeyJPRCSDXTLMQFFV-UHFFFAOYSA-N
XLogP43.71
TPSA121.02 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms164
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002329.78
LogP ≤ 543.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole?
The IUPAC name of 6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole (CID 158986842) is 6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole.
What is the SMILES notation for 6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole?
The canonical SMILES for 6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole is Cc1ccc2c(C(CC(F)(F)F)c3ccccc3)c(-c3ccccc3)[nH]c2c1.Cc1ccc2c(C(CC(F)(F)F)c3ccco3)c(-c3ccccc3)[nH]c2c1.Cc1ccc2c(C(CC(F)(F)F)c3cccs3)c(-c3ccccc3)[nH]c2c1.FC(F)(F)CC(c1ccccc1)c1c(-c2ccccc2)[nH]c2cc(Cl)ccc12.FC(F)(F)CC(c1ccco1)c1c(-c2ccccc2)[nH]c2cc(Cl)ccc12.FC(F)(F)CC(c1cccs1)c1c(-c2ccccc2)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole?
The InChIKey is JPRCSDXTLMQFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N.C23H17ClF3N.C22H18F3NO.C22H18F3NS.C21H15ClF3NO.C21H15ClF3NS/c1-16-12-13-19-21(14-16)28-23(18-10-6-3-7-11-18)22(19)20(15-24(25,26)27)17-8-4-2-5-9-17;24-17-11-12-18-20(13-17)28-22(16-9-5-2-6-10-16)21(18)19(14-23(25,26)27)15-7-3-1-4-8-15;2*1-14-9-10-16-18(12-14)26-21(15-6-3-2-4-7-15)20(16)17(13-22(23,24)25)19-8-5-11-27-19;2*22-14-8-9-15-17(11-14)26-20(13-5-2-1-3-6-13)19(15)16(12-21(23,24)25)18-7-4-10-27-18/h2-14,20,28H,15H2,1H3;1-13,19,28H,14H2;2*2-12,17,26H,13H2,1H3;2*1-11,16,26H,12H2.
What are the key properties of 6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole?
6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole has a molecular weight of 2329.78 g/mol, XLogP of 43.71, 24 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole is sourced from PubChem (CID 158986842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).