2-[7-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]acetic acid

C12H10F3NO3 — CID 84641801

IUPAC2-[7-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]acetic acid
SMILESCOc1cccc2c(CC(=O)O)c(C(F)(F)F)[nH]c12
InChIInChI=1S/C12H10F3NO3/c1-19-8-4-2-3-6-7(5-9(17)18)11(12(13,14)15)16-10(6)8/h2-4,16H,5H2,1H3,(H,17,18)
InChIKeyQYTXHRPFLMNABH-UHFFFAOYSA-N
MW273.21 g/mol
LogP2.82
Rot. Bonds3

About 2-[7-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]acetic acid

2-[7-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]acetic acid (PubChem CID 84641801) has the molecular formula C12H10F3NO3 and a molecular weight of 273.21 g/mol. Its IUPAC name is 2-[7-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[7-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]acetic acid
PubChem CID84641801
Molecular FormulaC12H10F3NO3
Molecular Weight273.21 g/mol
Exact Mass273.06
IUPAC Name2-[7-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]acetic acid
SMILESCOc1cccc2c(CC(=O)O)c(C(F)(F)F)[nH]c12
InChIInChI=1S/C12H10F3NO3/c1-19-8-4-2-3-6-7(5-9(17)18)11(12(13,14)15)16-10(6)8/h2-4,16H,5H2,1H3,(H,17,18)
InChIKeyQYTXHRPFLMNABH-UHFFFAOYSA-N
XLogP2.82
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-methoxy-2-(trifluoromethoxy)phenyl]acetic acid
CID 170997113
2-[2-(3,4-dimethoxyphenyl)-7-fluoro-1H-indol-3-yl]acetic acid
CID 4620548
2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]acetic acid
CID 84693330
7-methoxy-2-methyl-1H-indole-3-carboxylic acid
CID 65335303
2-[2-(2,5-dimethoxyphenyl)-7-fluoro-1H-indol-3-yl]acetic acid
CID 4021038
2-[7-methyl-2-(2,3,4-trimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3977556
7-methoxy-5-methyl-2-(trifluoromethyl)-1H-indole-3-carboxylic acid
CID 84641803
2-(7-methoxy-2-methyl-1H-indol-3-yl)acetaldehyde
CID 112710911
2-[2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-7-fluoro-1H-indol-3-yl]acetic acid
CID 5236323
2-[2-(2-bromo-4,5-dimethoxyphenyl)-7-chloro-1H-indol-3-yl]acetic acid
CID 5132474
N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]ethanamine
CID 65335513
2-(4-methoxy-1H-indol-2-yl)acetic acid
CID 28806414

Frequently Asked Questions

What is the IUPAC name of 2-[7-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[7-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]acetic acid (CID 84641801) is 2-[7-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[7-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[7-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]acetic acid is COc1cccc2c(CC(=O)O)c(C(F)(F)F)[nH]c12.
What is the InChIKey of 2-[7-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]acetic acid?
The InChIKey is QYTXHRPFLMNABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO3/c1-19-8-4-2-3-6-7(5-9(17)18)11(12(13,14)15)16-10(6)8/h2-4,16H,5H2,1H3,(H,17,18).
What are the key properties of 2-[7-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]acetic acid?
2-[7-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]acetic acid has a molecular weight of 273.21 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 84641801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).