2-[2-(2,3-dichlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid

C17H10Cl2F3NO3 — CID 3967064

IUPAC2-[2-(2,3-dichlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
SMILESO=C(O)Cc1c(-c2cccc(Cl)c2Cl)[nH]c2ccc(OC(F)(F)F)cc12
InChIInChI=1S/C17H10Cl2F3NO3/c18-12-3-1-2-9(15(12)19)16-11(7-14(24)25)10-6-8(26-17(20,21)22)4-5-13(10)23-16/h1-6,23H,7H2,(H,24,25)
InChIKeyASGGOSCSUZRMLA-UHFFFAOYSA-N
MW404.17 g/mol
LogP5.67
Rot. Bonds4

About 2-[2-(2,3-dichlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid

2-[2-(2,3-dichlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid (PubChem CID 3967064) has the molecular formula C17H10Cl2F3NO3 and a molecular weight of 404.17 g/mol. Its IUPAC name is 2-[2-(2,3-dichlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,3-dichlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
PubChem CID3967064
Molecular FormulaC17H10Cl2F3NO3
Molecular Weight404.17 g/mol
Exact Mass403.00
IUPAC Name2-[2-(2,3-dichlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
SMILESO=C(O)Cc1c(-c2cccc(Cl)c2Cl)[nH]c2ccc(OC(F)(F)F)cc12
InChIInChI=1S/C17H10Cl2F3NO3/c18-12-3-1-2-9(15(12)19)16-11(7-14(24)25)10-6-8(26-17(20,21)22)4-5-13(10)23-16/h1-6,23H,7H2,(H,24,25)
InChIKeyASGGOSCSUZRMLA-UHFFFAOYSA-N
XLogP5.67
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.17
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
CID 3263255
2-[2-(2,5-dimethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
CID 4588074
2-[2-(2,3-dichlorophenyl)-4,6-dimethyl-1H-indol-3-yl]acetic acid
CID 3394967
2-[5-ethoxy-2-(2-fluorophenyl)-1H-indol-3-yl]acetic acid
CID 4213558
2-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
CID 5178420
2-[5-cyclohexyloxy-2-[2-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid
CID 3906528
2-[5-ethoxy-2-(2-ethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 4004569
2-[4,6-dichloro-2-[2-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid
CID 4018835
3-(carboxymethyl)-2-naphthalen-1-yl-1H-indole-5-carboxylic acid
CID 4683567
2-[5-chloro-2-(2,3-dimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3275365
4-[2-(2,4-dichlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]butan-1-amine
CID 4309280
2-(5-cyclohexyloxy-2-naphthalen-1-yl-1H-indol-3-yl)acetic acid
CID 3386582

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dichlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[2-(2,3-dichlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid (CID 3967064) is 2-[2-(2,3-dichlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(2,3-dichlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[2-(2,3-dichlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid is O=C(O)Cc1c(-c2cccc(Cl)c2Cl)[nH]c2ccc(OC(F)(F)F)cc12.
What is the InChIKey of 2-[2-(2,3-dichlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid?
The InChIKey is ASGGOSCSUZRMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F3NO3/c18-12-3-1-2-9(15(12)19)16-11(7-14(24)25)10-6-8(26-17(20,21)22)4-5-13(10)23-16/h1-6,23H,7H2,(H,24,25).
What are the key properties of 2-[2-(2,3-dichlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid?
2-[2-(2,3-dichlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid has a molecular weight of 404.17 g/mol, XLogP of 5.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dichlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 3967064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).