6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-indole-3-carboxylic acid

C11H5F6NO3 — CID 174892182

IUPAC6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)[nH]c2cc(OC(F)(F)F)ccc12
InChIInChI=1S/C11H5F6NO3/c12-10(13,14)8-7(9(19)20)5-2-1-4(3-6(5)18-8)21-11(15,16)17/h1-3,18H,(H,19,20)
InChIKeyQMAUUPRJJHIUFF-UHFFFAOYSA-N
MW313.15 g/mol
LogP3.78
Rot. Bonds2

About 6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-indole-3-carboxylic acid

6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-indole-3-carboxylic acid (PubChem CID 174892182) has the molecular formula C11H5F6NO3 and a molecular weight of 313.15 g/mol. Its IUPAC name is 6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-indole-3-carboxylic acid
PubChem CID174892182
Molecular FormulaC11H5F6NO3
Molecular Weight313.15 g/mol
Exact Mass313.02
IUPAC Name6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)[nH]c2cc(OC(F)(F)F)ccc12
InChIInChI=1S/C11H5F6NO3/c12-10(13,14)8-7(9(19)20)5-2-1-4(3-6(5)18-8)21-11(15,16)17/h1-3,18H,(H,19,20)
InChIKeyQMAUUPRJJHIUFF-UHFFFAOYSA-N
XLogP3.78
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-2-(trifluoromethyl)-1H-indole-3-carboxylic acid
CID 83488076
2-methyl-3-methylsulfonyl-7-(trifluoromethoxy)-1H-quinolin-4-one
CID 67946471
2-hydroxy-5-(trifluoromethoxy)benzoic acid
CID 2775103
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
3-oxo-3-[5-(trifluoromethoxy)-1H-indol-2-yl]propanoic acid
CID 170887093
[6-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]methanamine
CID 83678476
2-methyl-5-(trifluoromethoxy)benzoic acid
CID 58839058
2-carboxy-4-(trifluoromethoxy)phenolate
CID 54711457
5-ethoxy-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole-3-carboxylic acid
CID 174788683
2-[5-(trifluoromethoxy)-1H-indol-2-yl]acetic acid
CID 68638607
6-methoxy-4-oxo-2-(trifluoromethyl)-1H-quinoline-3-carbonyl chloride
CID 54525795
3-fluoro-1-[6-(trifluoromethoxy)-1H-indole-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119258701

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-indole-3-carboxylic acid?
The IUPAC name of 6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-indole-3-carboxylic acid (CID 174892182) is 6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-indole-3-carboxylic acid.
What is the SMILES notation for 6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-indole-3-carboxylic acid?
The canonical SMILES for 6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-indole-3-carboxylic acid is O=C(O)c1c(C(F)(F)F)[nH]c2cc(OC(F)(F)F)ccc12.
What is the InChIKey of 6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-indole-3-carboxylic acid?
The InChIKey is QMAUUPRJJHIUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F6NO3/c12-10(13,14)8-7(9(19)20)5-2-1-4(3-6(5)18-8)21-11(15,16)17/h1-3,18H,(H,19,20).
What are the key properties of 6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-indole-3-carboxylic acid?
6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-indole-3-carboxylic acid has a molecular weight of 313.15 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-indole-3-carboxylic acid is sourced from PubChem (CID 174892182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).