2-[4,6-dichloro-2-[2-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid

C17H10Cl2F3NO2 — CID 4018835

IUPAC2-[4,6-dichloro-2-[2-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid
SMILESO=C(O)Cc1c(-c2ccccc2C(F)(F)F)[nH]c2cc(Cl)cc(Cl)c12
InChIInChI=1S/C17H10Cl2F3NO2/c18-8-5-12(19)15-10(7-14(24)25)16(23-13(15)6-8)9-3-1-2-4-11(9)17(20,21)22/h1-6,23H,7H2,(H,24,25)
InChIKeyWGTVBEWOOSPASA-UHFFFAOYSA-N
MW388.17 g/mol
LogP5.79
Rot. Bonds3

About 2-[4,6-dichloro-2-[2-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid

2-[4,6-dichloro-2-[2-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid (PubChem CID 4018835) has the molecular formula C17H10Cl2F3NO2 and a molecular weight of 388.17 g/mol. Its IUPAC name is 2-[4,6-dichloro-2-[2-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4,6-dichloro-2-[2-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid
PubChem CID4018835
Molecular FormulaC17H10Cl2F3NO2
Molecular Weight388.17 g/mol
Exact Mass387.00
IUPAC Name2-[4,6-dichloro-2-[2-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid
SMILESO=C(O)Cc1c(-c2ccccc2C(F)(F)F)[nH]c2cc(Cl)cc(Cl)c12
InChIInChI=1S/C17H10Cl2F3NO2/c18-8-5-12(19)15-10(7-14(24)25)16(23-13(15)6-8)9-3-1-2-4-11(9)17(20,21)22/h1-6,23H,7H2,(H,24,25)
InChIKeyWGTVBEWOOSPASA-UHFFFAOYSA-N
XLogP5.79
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.17
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4,6-dichloro-2-(2,4-dimethylphenyl)-1H-indol-3-yl]acetic acid
CID 4588071
2-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
CID 5138090
2-[3,5-dichloro-2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134623598
2-[5-cyclohexyloxy-2-[2-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid
CID 3906528
2-[2-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 134625865
2-[2-(2,3-dichlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
CID 3967064
2-[4,6-dichloro-2-(3-methoxy-4-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 4015261
2-[2-(2,3-dichlorophenyl)-4,6-dimethyl-1H-indol-3-yl]acetic acid
CID 3394967
2-[2-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
CID 3263255
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
2-[2-chloro-6-(2,4,6-trichlorophenyl)phenyl]acetic acid
CID 134622761
2-[6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid
CID 133091981

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dichloro-2-[2-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[4,6-dichloro-2-[2-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid (CID 4018835) is 2-[4,6-dichloro-2-[2-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[4,6-dichloro-2-[2-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[4,6-dichloro-2-[2-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid is O=C(O)Cc1c(-c2ccccc2C(F)(F)F)[nH]c2cc(Cl)cc(Cl)c12.
What is the InChIKey of 2-[4,6-dichloro-2-[2-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid?
The InChIKey is WGTVBEWOOSPASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F3NO2/c18-8-5-12(19)15-10(7-14(24)25)16(23-13(15)6-8)9-3-1-2-4-11(9)17(20,21)22/h1-6,23H,7H2,(H,24,25).
What are the key properties of 2-[4,6-dichloro-2-[2-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid?
2-[4,6-dichloro-2-[2-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid has a molecular weight of 388.17 g/mol, XLogP of 5.79, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dichloro-2-[2-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 4018835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).