3-fluoro-4-(trifluoromethyl)-1H-indole-2-carboxylic acid

C10H5F4NO2 — CID 151410207

IUPAC3-fluoro-4-(trifluoromethyl)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2cccc(C(F)(F)F)c2c1F
InChIInChI=1S/C10H5F4NO2/c11-7-6-4(10(12,13)14)2-1-3-5(6)15-8(7)9(16)17/h1-3,15H,(H,16,17)
InChIKeyOYIVJNYLFSAJOI-UHFFFAOYSA-N
MW247.15 g/mol
LogP3.02
Rot. Bonds1

About 3-fluoro-4-(trifluoromethyl)-1H-indole-2-carboxylic acid

3-fluoro-4-(trifluoromethyl)-1H-indole-2-carboxylic acid (PubChem CID 151410207) has the molecular formula C10H5F4NO2 and a molecular weight of 247.15 g/mol. Its IUPAC name is 3-fluoro-4-(trifluoromethyl)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-4-(trifluoromethyl)-1H-indole-2-carboxylic acid
PubChem CID151410207
Molecular FormulaC10H5F4NO2
Molecular Weight247.15 g/mol
Exact Mass247.03
IUPAC Name3-fluoro-4-(trifluoromethyl)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2cccc(C(F)(F)F)c2c1F
InChIInChI=1S/C10H5F4NO2/c11-7-6-4(10(12,13)14)2-1-3-5(6)15-8(7)9(16)17/h1-3,15H,(H,16,17)
InChIKeyOYIVJNYLFSAJOI-UHFFFAOYSA-N
XLogP3.02
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.15
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

9-oxo-8-(trifluoromethyl)-10H-acridine-4-carboxylic acid
CID 45117724
ethyl 2-[3-methyl-4-(trifluoromethyl)-1H-indol-2-yl]-2-oxoacetate
CID 115072663
3-methylsulfanyl-4-(trifluoromethyl)-1H-indol-2-ol
CID 141018428
1H-indole-2,3,4-tricarboxylic acid
CID 150336310
3-chloro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 68745449
2-oxo-5-(trifluoromethyl)-1H-quinoline-3-carboxylic acid
CID 133054559
3-amino-4-bromo-1H-indole-2-carboxylic acid
CID 84804837
5-bromo-3-fluoro-1H-indole-2-carboxylic acid
CID 83853706
5-chloro-3-fluoro-1H-indole-2-carboxylic acid
CID 22934792
4-methoxy-3-(trifluoromethyl)-1H-indole-2-carboxamide
CID 175836718
3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 11439118
3-acetyl-5-(trifluoromethyl)-1H-quinolin-4-one
CID 58281407

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(trifluoromethyl)-1H-indole-2-carboxylic acid?
The IUPAC name of 3-fluoro-4-(trifluoromethyl)-1H-indole-2-carboxylic acid (CID 151410207) is 3-fluoro-4-(trifluoromethyl)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 3-fluoro-4-(trifluoromethyl)-1H-indole-2-carboxylic acid?
The canonical SMILES for 3-fluoro-4-(trifluoromethyl)-1H-indole-2-carboxylic acid is O=C(O)c1[nH]c2cccc(C(F)(F)F)c2c1F.
What is the InChIKey of 3-fluoro-4-(trifluoromethyl)-1H-indole-2-carboxylic acid?
The InChIKey is OYIVJNYLFSAJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F4NO2/c11-7-6-4(10(12,13)14)2-1-3-5(6)15-8(7)9(16)17/h1-3,15H,(H,16,17).
What are the key properties of 3-fluoro-4-(trifluoromethyl)-1H-indole-2-carboxylic acid?
3-fluoro-4-(trifluoromethyl)-1H-indole-2-carboxylic acid has a molecular weight of 247.15 g/mol, XLogP of 3.02, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(trifluoromethyl)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 151410207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).