3-(trifluoromethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid

C10H8F3NO3 — CID 174765779

IUPAC3-(trifluoromethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid
SMILESO=C(O)C1Nc2ccccc2C1OC(F)(F)F
InChIInChI=1S/C10H8F3NO3/c11-10(12,13)17-8-5-3-1-2-4-6(5)14-7(8)9(15)16/h1-4,7-8,14H,(H,15,16)
InChIKeyWWMOAUJOLWZLQP-UHFFFAOYSA-N
MW247.17 g/mol
LogP2.14
Rot. Bonds2

About 3-(trifluoromethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid

3-(trifluoromethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid (PubChem CID 174765779) has the molecular formula C10H8F3NO3 and a molecular weight of 247.17 g/mol. Its IUPAC name is 3-(trifluoromethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name3-(trifluoromethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid
PubChem CID174765779
Molecular FormulaC10H8F3NO3
Molecular Weight247.17 g/mol
Exact Mass247.05
IUPAC Name3-(trifluoromethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid
SMILESO=C(O)C1Nc2ccccc2C1OC(F)(F)F
InChIInChI=1S/C10H8F3NO3/c11-10(12,13)17-8-5-3-1-2-4-6(5)14-7(8)9(15)16/h1-4,7-8,14H,(H,15,16)
InChIKeyWWMOAUJOLWZLQP-UHFFFAOYSA-N
XLogP2.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid?
The IUPAC name of 3-(trifluoromethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid (CID 174765779) is 3-(trifluoromethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid.
What is the SMILES notation for 3-(trifluoromethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid?
The canonical SMILES for 3-(trifluoromethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid is O=C(O)C1Nc2ccccc2C1OC(F)(F)F.
What is the InChIKey of 3-(trifluoromethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid?
The InChIKey is WWMOAUJOLWZLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO3/c11-10(12,13)17-8-5-3-1-2-4-6(5)14-7(8)9(15)16/h1-4,7-8,14H,(H,15,16).
What are the key properties of 3-(trifluoromethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid?
3-(trifluoromethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid has a molecular weight of 247.17 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid is sourced from PubChem (CID 174765779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).