5-(difluoromethoxy)-1H-indole

C9H7F2NO — CID 66737958

IUPAC5-(difluoromethoxy)-1H-indole
SMILESFC(F)Oc1ccc2[nH]ccc2c1
InChIInChI=1S/C9H7F2NO/c10-9(11)13-7-1-2-8-6(5-7)3-4-12-8/h1-5,9,12H
InChIKeyJSUHRZGUEDZQMX-UHFFFAOYSA-N
MW183.16 g/mol
LogP2.77
Rot. Bonds2

About 5-(difluoromethoxy)-1H-indole

5-(difluoromethoxy)-1H-indole (PubChem CID 66737958) has the molecular formula C9H7F2NO and a molecular weight of 183.16 g/mol. Its IUPAC name is 5-(difluoromethoxy)-1H-indole.

Molecular Properties

Compound Name5-(difluoromethoxy)-1H-indole
PubChem CID66737958
Molecular FormulaC9H7F2NO
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name5-(difluoromethoxy)-1H-indole
SMILESFC(F)Oc1ccc2[nH]ccc2c1
InChIInChI=1S/C9H7F2NO/c10-9(11)13-7-1-2-8-6(5-7)3-4-12-8/h1-5,9,12H
InChIKeyJSUHRZGUEDZQMX-UHFFFAOYSA-N
XLogP2.77
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-1H-indole?
The IUPAC name of 5-(difluoromethoxy)-1H-indole (CID 66737958) is 5-(difluoromethoxy)-1H-indole.
What is the SMILES notation for 5-(difluoromethoxy)-1H-indole?
The canonical SMILES for 5-(difluoromethoxy)-1H-indole is FC(F)Oc1ccc2[nH]ccc2c1.
What is the InChIKey of 5-(difluoromethoxy)-1H-indole?
The InChIKey is JSUHRZGUEDZQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO/c10-9(11)13-7-1-2-8-6(5-7)3-4-12-8/h1-5,9,12H.
What are the key properties of 5-(difluoromethoxy)-1H-indole?
5-(difluoromethoxy)-1H-indole has a molecular weight of 183.16 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-1H-indole is sourced from PubChem (CID 66737958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).