3-[[2-chloro-6-(trifluoromethyl)phenyl]-methoxymethyl]-1H-indole;3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole;4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoic acid;1H-indole;methyl 4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoate;molecular hydrogen

C88H69Cl4F12N5O5 — CID 158804252

IUPAC3-[[2-chloro-6-(trifluoromethyl)phenyl]-methoxymethyl]-1H-indole;3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole;4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoic acid;1H-indole;methyl 4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoate;molecular hydrogen
SMILESCOC(=O)c1ccc(-n2cc(Cc3c(Cl)cccc3C(F)(F)F)c3ccccc32)cc1.COC(c1c(Cl)cccc1C(F)(F)F)c1c[nH]c2ccccc12.FC(F)(F)c1cccc(Cl)c1Cc1c[nH]c2ccccc12.O=C(O)c1ccc(-n2cc(Cc3c(Cl)cccc3C(F)(F)F)c3ccccc32)cc1.[H][H].[H][H].[H][H].c1ccc2[nH]ccc2c1
InChIInChI=1S/C24H17ClF3NO2.C23H15ClF3NO2.C17H13ClF3NO.C16H11ClF3N.C8H7N.3H2/c1-31-23(30)15-9-11-17(12-10-15)29-14-16(18-5-2-3-8-22(18)29)13-19-20(24(26,27)28)6-4-7-21(19)25;24-20-6-3-5-19(23(25,26)27)18(20)12-15-13-28(21-7-2-1-4-17(15)21)16-10-8-14(9-11-16)22(29)30;1-23-16(11-9-22-14-8-3-2-5-10(11)14)15-12(17(19,20)21)6-4-7-13(15)18;17-14-6-3-5-13(16(18,19)20)12(14)8-10-9-21-15-7-2-1-4-11(10)15;1-2-4-8-7(3-1)5-6-9-8;;;/h2-12,14H,13H2,1H3;1-11,13H,12H2,(H,29,30);2-9,16,22H,1H3;1-7,9,21H,8H2;1-6,9H;3*1H
InChIKeyITWFUVQHYVXDRR-UHFFFAOYSA-N
MW1646.34 g/mol
LogP27.18
Rot. Bonds13

About 3-[[2-chloro-6-(trifluoromethyl)phenyl]-methoxymethyl]-1H-indole;3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole;4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoic acid;1H-indole;methyl 4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoate;molecular hydrogen

3-[[2-chloro-6-(trifluoromethyl)phenyl]-methoxymethyl]-1H-indole;3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole;4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoic acid;1H-indole;methyl 4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoate;molecular hydrogen (PubChem CID 158804252) has the molecular formula C88H69Cl4F12N5O5 and a molecular weight of 1646.34 g/mol. Its IUPAC name is 3-[[2-chloro-6-(trifluoromethyl)phenyl]-methoxymethyl]-1H-indole;3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole;4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoic acid;1H-indole;methyl 4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoate;molecular hydrogen.

Molecular Properties

Compound Name3-[[2-chloro-6-(trifluoromethyl)phenyl]-methoxymethyl]-1H-indole;3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole;4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoic acid;1H-indole;methyl 4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoate;molecular hydrogen
PubChem CID158804252
Molecular FormulaC88H69Cl4F12N5O5
Molecular Weight1646.34 g/mol
Exact Mass1643.39
IUPAC Name3-[[2-chloro-6-(trifluoromethyl)phenyl]-methoxymethyl]-1H-indole;3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole;4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoic acid;1H-indole;methyl 4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoate;molecular hydrogen
SMILESCOC(=O)c1ccc(-n2cc(Cc3c(Cl)cccc3C(F)(F)F)c3ccccc32)cc1.COC(c1c(Cl)cccc1C(F)(F)F)c1c[nH]c2ccccc12.FC(F)(F)c1cccc(Cl)c1Cc1c[nH]c2ccccc12.O=C(O)c1ccc(-n2cc(Cc3c(Cl)cccc3C(F)(F)F)c3ccccc32)cc1.[H][H].[H][H].[H][H].c1ccc2[nH]ccc2c1
InChIInChI=1S/C24H17ClF3NO2.C23H15ClF3NO2.C17H13ClF3NO.C16H11ClF3N.C8H7N.3H2/c1-31-23(30)15-9-11-17(12-10-15)29-14-16(18-5-2-3-8-22(18)29)13-19-20(24(26,27)28)6-4-7-21(19)25;24-20-6-3-5-19(23(25,26)27)18(20)12-15-13-28(21-7-2-1-4-17(15)21)16-10-8-14(9-11-16)22(29)30;1-23-16(11-9-22-14-8-3-2-5-10(11)14)15-12(17(19,20)21)6-4-7-13(15)18;17-14-6-3-5-13(16(18,19)20)12(14)8-10-9-21-15-7-2-1-4-11(10)15;1-2-4-8-7(3-1)5-6-9-8;;;/h2-12,14H,13H2,1H3;1-11,13H,12H2,(H,29,30);2-9,16,22H,1H3;1-7,9,21H,8H2;1-6,9H;3*1H
InChIKeyITWFUVQHYVXDRR-UHFFFAOYSA-N
XLogP27.18
TPSA130.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001646.34
LogP ≤ 527.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-[[2-chloro-6-(trifluoromethyl)phenyl]-methoxymethyl]-1H-indole;3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole;4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoic acid;1H-indole;methyl 4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoate;molecular hydrogen with MolForge

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Related Compounds

1-(aminomethyl)-4,4-difluorocyclohexan-1-ol;1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;4-chloro-1-(2,2,2-trifluoroethyl)indole-3-carboxylic acid;1-[4-chloro-1-(2,2,2-trifluoroethyl)indol-3-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[4-chloro-1-(2,2,2-trifluoroethyl)indol-3-yl]-2,2,2-trifluoroethanone;2,2,2-trifluoroethyl methanesulfonate;hydrochloride
CID 157162278
potassium;acetyl 2,2,2-trifluoroacetate;3-bromo-1,1-dimethoxypropane;4-chloro-1-(3,3-difluoropropyl)indole-3-carboxylic acid;1-[4-chloro-1-(3,3-difluoropropyl)indol-3-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[4-chloro-1-(3,3-difluoropropyl)indol-3-yl]-2,2,2-trifluoroethanone;4-chloro-1-(3,3-dimethoxypropyl)indole;1-[4-chloro-1-(3,3-dimethoxypropyl)indol-3-yl]-2,2,2-trifluoroethanone;4-chloro-1H-indole;3-[4-chloro-3-(2,2,2-trifluoroacetyl)indol-1-yl]propanal;deuterio(fluoro)methane;oxolane;hydroxide;hydrochloride
CID 157466916
3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[2-chloro-6-(trifluoromethyl)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;methyl 4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]benzoate;4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]benzoic acid;molecular hydrogen;1H-pyrrolo[2,3-b]pyridine
CID 157469514
3-[[2-chloro-6-(trifluoromethyl)phenyl]-methoxymethyl]-1H-indole;3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole;4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoic acid;1H-indole;methyl 4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoate
CID 158724613
1-[4-Chloro-1-(2-hydroxyethyl)indol-3-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;(4,4-difluorocyclohexyl)methanamine;1-(2-methoxyethyl)-4-(trifluoromethyl)indole;1-(2-methoxyethyl)-4-(trifluoromethyl)indole-3-carboxylic acid;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,2,2-trifluoro-1-[1-(2-methoxyethyl)-4-(trifluoromethyl)indol-3-yl]ethanone
CID 158872710
bis(3-(5-chloro-2,6-dimethyl-1H-indol-3-yl)propanoic acid);3-[5-chloro-2-ethoxycarbonyl-4-(trifluoromethyl)-1H-indol-3-yl]propanoic acid;5-chloro-3-(3-ethoxy-3-oxopropyl)-6-methyl-1H-indole-2-carboxylic acid;ethyl 3-(1-benzyl-5-chloro-2-methylindol-3-yl)propanoate;ethyl 6-chloro-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-indole-2-carboxylate
CID 158936047
6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;2-methylpropyl 6-tert-butyl-1H-indole-5-carboxylate;3-propan-2-ylisoquinoline
CID 159031028
6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;propyl 6-tert-butyl-1H-indole-5-carboxylate
CID 159316931
3-chloro-4-fluorobenzaldehyde;1-(3-chloro-4-fluorophenyl)-1,3,4,9-tetrahydropyrano[3,4-b]indole;2-(1H-indol-3-yl)ethanol;methane;2,2,2-trifluoroacetaldehyde
CID 159474690
5-Chloro-2-[[1-[2-(trifluoromethyl)phenyl]indol-5-yl]methyl]benzoic acid;methyl 5-chloro-2-[[1-[2-(trifluoromethyl)phenyl]indol-5-yl]methyl]benzoate
CID 159611204
1-(aminomethyl)-3,3-difluorocyclohexan-1-ol;1-bromo-2-methoxyethane;4-chloro-1H-indole;1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;4-chloro-1-(2-methoxyethyl)indole-3-carboxylic acid;1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-2,2,2-trifluoroethanone
CID 159621565
1-(bromomethyl)-4-fluoro-2-(trifluoromethyl)benzene;1-(2-fluoroethyl)-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylic acid;methyl 1-(2-fluoroethyl)-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylate;methyl 2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxylate;methyl 1H-indole-5-carboxylate
CID 160001396

Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-6-(trifluoromethyl)phenyl]-methoxymethyl]-1H-indole;3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole;4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoic acid;1H-indole;methyl 4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoate;molecular hydrogen?
The IUPAC name of 3-[[2-chloro-6-(trifluoromethyl)phenyl]-methoxymethyl]-1H-indole;3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole;4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoic acid;1H-indole;methyl 4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoate;molecular hydrogen (CID 158804252) is 3-[[2-chloro-6-(trifluoromethyl)phenyl]-methoxymethyl]-1H-indole;3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole;4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoic acid;1H-indole;methyl 4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoate;molecular hydrogen.
What is the SMILES notation for 3-[[2-chloro-6-(trifluoromethyl)phenyl]-methoxymethyl]-1H-indole;3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole;4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoic acid;1H-indole;methyl 4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoate;molecular hydrogen?
The canonical SMILES for 3-[[2-chloro-6-(trifluoromethyl)phenyl]-methoxymethyl]-1H-indole;3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole;4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoic acid;1H-indole;methyl 4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoate;molecular hydrogen is COC(=O)c1ccc(-n2cc(Cc3c(Cl)cccc3C(F)(F)F)c3ccccc32)cc1.COC(c1c(Cl)cccc1C(F)(F)F)c1c[nH]c2ccccc12.FC(F)(F)c1cccc(Cl)c1Cc1c[nH]c2ccccc12.O=C(O)c1ccc(-n2cc(Cc3c(Cl)cccc3C(F)(F)F)c3ccccc32)cc1.[H][H].[H][H].[H][H].c1ccc2[nH]ccc2c1.
What is the InChIKey of 3-[[2-chloro-6-(trifluoromethyl)phenyl]-methoxymethyl]-1H-indole;3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole;4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoic acid;1H-indole;methyl 4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoate;molecular hydrogen?
The InChIKey is ITWFUVQHYVXDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3NO2.C23H15ClF3NO2.C17H13ClF3NO.C16H11ClF3N.C8H7N.3H2/c1-31-23(30)15-9-11-17(12-10-15)29-14-16(18-5-2-3-8-22(18)29)13-19-20(24(26,27)28)6-4-7-21(19)25;24-20-6-3-5-19(23(25,26)27)18(20)12-15-13-28(21-7-2-1-4-17(15)21)16-10-8-14(9-11-16)22(29)30;1-23-16(11-9-22-14-8-3-2-5-10(11)14)15-12(17(19,20)21)6-4-7-13(15)18;17-14-6-3-5-13(16(18,19)20)12(14)8-10-9-21-15-7-2-1-4-11(10)15;1-2-4-8-7(3-1)5-6-9-8;;;/h2-12,14H,13H2,1H3;1-11,13H,12H2,(H,29,30);2-9,16,22H,1H3;1-7,9,21H,8H2;1-6,9H;3*1H.
What are the key properties of 3-[[2-chloro-6-(trifluoromethyl)phenyl]-methoxymethyl]-1H-indole;3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole;4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoic acid;1H-indole;methyl 4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoate;molecular hydrogen?
3-[[2-chloro-6-(trifluoromethyl)phenyl]-methoxymethyl]-1H-indole;3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole;4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoic acid;1H-indole;methyl 4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoate;molecular hydrogen has a molecular weight of 1646.34 g/mol, XLogP of 27.18, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-chloro-6-(trifluoromethyl)phenyl]-methoxymethyl]-1H-indole;3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole;4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoic acid;1H-indole;methyl 4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoate;molecular hydrogen is sourced from PubChem (CID 158804252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).