5-(3,3,3-trifluoropropoxy)-1H-indole

C11H10F3NO — CID 80643656

IUPAC5-(3,3,3-trifluoropropoxy)-1H-indole
SMILESFC(F)(F)CCOc1ccc2[nH]ccc2c1
InChIInChI=1S/C11H10F3NO/c12-11(13,14)4-6-16-9-1-2-10-8(7-9)3-5-15-10/h1-3,5,7,15H,4,6H2
InChIKeyMCSUBIFDRYMMBN-UHFFFAOYSA-N
MW229.20 g/mol
LogP3.50
Rot. Bonds3

About 5-(3,3,3-trifluoropropoxy)-1H-indole

5-(3,3,3-trifluoropropoxy)-1H-indole (PubChem CID 80643656) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 5-(3,3,3-trifluoropropoxy)-1H-indole.

Molecular Properties

Compound Name5-(3,3,3-trifluoropropoxy)-1H-indole
PubChem CID80643656
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name5-(3,3,3-trifluoropropoxy)-1H-indole
SMILESFC(F)(F)CCOc1ccc2[nH]ccc2c1
InChIInChI=1S/C11H10F3NO/c12-11(13,14)4-6-16-9-1-2-10-8(7-9)3-5-15-10/h1-3,5,7,15H,4,6H2
InChIKeyMCSUBIFDRYMMBN-UHFFFAOYSA-N
XLogP3.50
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3,3-trifluoropropoxy)-1H-indole?
The IUPAC name of 5-(3,3,3-trifluoropropoxy)-1H-indole (CID 80643656) is 5-(3,3,3-trifluoropropoxy)-1H-indole.
What is the SMILES notation for 5-(3,3,3-trifluoropropoxy)-1H-indole?
The canonical SMILES for 5-(3,3,3-trifluoropropoxy)-1H-indole is FC(F)(F)CCOc1ccc2[nH]ccc2c1.
What is the InChIKey of 5-(3,3,3-trifluoropropoxy)-1H-indole?
The InChIKey is MCSUBIFDRYMMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c12-11(13,14)4-6-16-9-1-2-10-8(7-9)3-5-15-10/h1-3,5,7,15H,4,6H2.
What are the key properties of 5-(3,3,3-trifluoropropoxy)-1H-indole?
5-(3,3,3-trifluoropropoxy)-1H-indole has a molecular weight of 229.20 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,3-trifluoropropoxy)-1H-indole is sourced from PubChem (CID 80643656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).