5-(2,2,3,3-tetrafluoropropoxy)-1H-indole

C11H9F4NO — CID 56601031

IUPAC5-(2,2,3,3-tetrafluoropropoxy)-1H-indole
SMILESFC(F)C(F)(F)COc1ccc2[nH]ccc2c1
InChIInChI=1S/C11H9F4NO/c12-10(13)11(14,15)6-17-8-1-2-9-7(5-8)3-4-16-9/h1-5,10,16H,6H2
InChIKeyOSJDNMSRGDHWJN-UHFFFAOYSA-N
MW247.19 g/mol
LogP3.45
Rot. Bonds4

About 5-(2,2,3,3-tetrafluoropropoxy)-1H-indole

5-(2,2,3,3-tetrafluoropropoxy)-1H-indole (PubChem CID 56601031) has the molecular formula C11H9F4NO and a molecular weight of 247.19 g/mol. Its IUPAC name is 5-(2,2,3,3-tetrafluoropropoxy)-1H-indole.

Molecular Properties

Compound Name5-(2,2,3,3-tetrafluoropropoxy)-1H-indole
PubChem CID56601031
Molecular FormulaC11H9F4NO
Molecular Weight247.19 g/mol
Exact Mass247.06
IUPAC Name5-(2,2,3,3-tetrafluoropropoxy)-1H-indole
SMILESFC(F)C(F)(F)COc1ccc2[nH]ccc2c1
InChIInChI=1S/C11H9F4NO/c12-10(13)11(14,15)6-17-8-1-2-9-7(5-8)3-4-16-9/h1-5,10,16H,6H2
InChIKeyOSJDNMSRGDHWJN-UHFFFAOYSA-N
XLogP3.45
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.19
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,3,3-tetrafluoropropoxy)-1H-indole?
The IUPAC name of 5-(2,2,3,3-tetrafluoropropoxy)-1H-indole (CID 56601031) is 5-(2,2,3,3-tetrafluoropropoxy)-1H-indole.
What is the SMILES notation for 5-(2,2,3,3-tetrafluoropropoxy)-1H-indole?
The canonical SMILES for 5-(2,2,3,3-tetrafluoropropoxy)-1H-indole is FC(F)C(F)(F)COc1ccc2[nH]ccc2c1.
What is the InChIKey of 5-(2,2,3,3-tetrafluoropropoxy)-1H-indole?
The InChIKey is OSJDNMSRGDHWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4NO/c12-10(13)11(14,15)6-17-8-1-2-9-7(5-8)3-4-16-9/h1-5,10,16H,6H2.
What are the key properties of 5-(2,2,3,3-tetrafluoropropoxy)-1H-indole?
5-(2,2,3,3-tetrafluoropropoxy)-1H-indole has a molecular weight of 247.19 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,3,3-tetrafluoropropoxy)-1H-indole is sourced from PubChem (CID 56601031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).