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

C11H8F3NO3 — CID 68638607

IUPAC2-[5-(trifluoromethoxy)-1H-indol-2-yl]acetic acid
SMILESO=C(O)Cc1cc2cc(OC(F)(F)F)ccc2[nH]1
InChIInChI=1S/C11H8F3NO3/c12-11(13,14)18-8-1-2-9-6(4-8)3-7(15-9)5-10(16)17/h1-4,15H,5H2,(H,16,17)
InChIKeyRFZLNJYZUZNDKP-UHFFFAOYSA-N
MW259.18 g/mol
LogP2.69
Rot. Bonds3

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

2-[5-(trifluoromethoxy)-1H-indol-2-yl]acetic acid (PubChem CID 68638607) has the molecular formula C11H8F3NO3 and a molecular weight of 259.18 g/mol. Its IUPAC name is 2-[5-(trifluoromethoxy)-1H-indol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(trifluoromethoxy)-1H-indol-2-yl]acetic acid
PubChem CID68638607
Molecular FormulaC11H8F3NO3
Molecular Weight259.18 g/mol
Exact Mass259.05
IUPAC Name2-[5-(trifluoromethoxy)-1H-indol-2-yl]acetic acid
SMILESO=C(O)Cc1cc2cc(OC(F)(F)F)ccc2[nH]1
InChIInChI=1S/C11H8F3NO3/c12-11(13,14)18-8-1-2-9-6(4-8)3-7(15-9)5-10(16)17/h1-4,15H,5H2,(H,16,17)
InChIKeyRFZLNJYZUZNDKP-UHFFFAOYSA-N
XLogP2.69
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-oxo-3-[5-(trifluoromethoxy)-1H-indol-2-yl]propanoic acid
CID 170887093
2-[5-[3-[[5-fluoro-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-methylamino]propoxy]-1H-indol-2-yl]acetic acid
CID 67244974
2-(5-formyl-1H-indol-2-yl)acetic acid
CID 22999140
methyl 2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-5-carboxylate
CID 130432952
2-(5-cyano-1H-indol-2-yl)acetic acid
CID 131305080
2-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]acetic acid
CID 170998746
ethanol;2-(1H-indol-2-yl)acetic acid
CID 157082351
2-[2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]acetic acid
CID 68754879
2-[2-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
CID 3263255
2-[2-(2,3-dichlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
CID 3967064
2-[2-(2,5-dimethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
CID 4588074
N-(4-chlorobenzoyl)-5-(trifluoromethoxy)-1H-indole-2-carbohydrazide
CID 22216811

Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethoxy)-1H-indol-2-yl]acetic acid?
The IUPAC name of 2-[5-(trifluoromethoxy)-1H-indol-2-yl]acetic acid (CID 68638607) is 2-[5-(trifluoromethoxy)-1H-indol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(trifluoromethoxy)-1H-indol-2-yl]acetic acid?
The canonical SMILES for 2-[5-(trifluoromethoxy)-1H-indol-2-yl]acetic acid is O=C(O)Cc1cc2cc(OC(F)(F)F)ccc2[nH]1.
What is the InChIKey of 2-[5-(trifluoromethoxy)-1H-indol-2-yl]acetic acid?
The InChIKey is RFZLNJYZUZNDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO3/c12-11(13,14)18-8-1-2-9-6(4-8)3-7(15-9)5-10(16)17/h1-4,15H,5H2,(H,16,17).
What are the key properties of 2-[5-(trifluoromethoxy)-1H-indol-2-yl]acetic acid?
2-[5-(trifluoromethoxy)-1H-indol-2-yl]acetic acid has a molecular weight of 259.18 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethoxy)-1H-indol-2-yl]acetic acid is sourced from PubChem (CID 68638607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).