1-(3-fluoropropyl)-7-(trifluoromethoxy)indole-3-carboxylic acid

C13H11F4NO3 — CID 67257961

IUPAC1-(3-fluoropropyl)-7-(trifluoromethoxy)indole-3-carboxylic acid
SMILESO=C(O)c1cn(CCCF)c2c(OC(F)(F)F)cccc12
InChIInChI=1S/C13H11F4NO3/c14-5-2-6-18-7-9(12(19)20)8-3-1-4-10(11(8)18)21-13(15,16)17/h1,3-4,7H,2,5-6H2,(H,19,20)
InChIKeyUFFISFVIWJOJGP-UHFFFAOYSA-N
MW305.23 g/mol
LogP3.60
Rot. Bonds5

About 1-(3-fluoropropyl)-7-(trifluoromethoxy)indole-3-carboxylic acid

1-(3-fluoropropyl)-7-(trifluoromethoxy)indole-3-carboxylic acid (PubChem CID 67257961) has the molecular formula C13H11F4NO3 and a molecular weight of 305.23 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-7-(trifluoromethoxy)indole-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluoropropyl)-7-(trifluoromethoxy)indole-3-carboxylic acid
PubChem CID67257961
Molecular FormulaC13H11F4NO3
Molecular Weight305.23 g/mol
Exact Mass305.07
IUPAC Name1-(3-fluoropropyl)-7-(trifluoromethoxy)indole-3-carboxylic acid
SMILESO=C(O)c1cn(CCCF)c2c(OC(F)(F)F)cccc12
InChIInChI=1S/C13H11F4NO3/c14-5-2-6-18-7-9(12(19)20)8-3-1-4-10(11(8)18)21-13(15,16)17/h1,3-4,7H,2,5-6H2,(H,19,20)
InChIKeyUFFISFVIWJOJGP-UHFFFAOYSA-N
XLogP3.60
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.23
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-7-(trifluoromethoxy)indole-3-carboxylic acid?
The IUPAC name of 1-(3-fluoropropyl)-7-(trifluoromethoxy)indole-3-carboxylic acid (CID 67257961) is 1-(3-fluoropropyl)-7-(trifluoromethoxy)indole-3-carboxylic acid.
What is the SMILES notation for 1-(3-fluoropropyl)-7-(trifluoromethoxy)indole-3-carboxylic acid?
The canonical SMILES for 1-(3-fluoropropyl)-7-(trifluoromethoxy)indole-3-carboxylic acid is O=C(O)c1cn(CCCF)c2c(OC(F)(F)F)cccc12.
What is the InChIKey of 1-(3-fluoropropyl)-7-(trifluoromethoxy)indole-3-carboxylic acid?
The InChIKey is UFFISFVIWJOJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4NO3/c14-5-2-6-18-7-9(12(19)20)8-3-1-4-10(11(8)18)21-13(15,16)17/h1,3-4,7H,2,5-6H2,(H,19,20).
What are the key properties of 1-(3-fluoropropyl)-7-(trifluoromethoxy)indole-3-carboxylic acid?
1-(3-fluoropropyl)-7-(trifluoromethoxy)indole-3-carboxylic acid has a molecular weight of 305.23 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-7-(trifluoromethoxy)indole-3-carboxylic acid is sourced from PubChem (CID 67257961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).