5-(2,2-difluoroethoxy)-1H-indole

C10H9F2NO — CID 79885106

IUPAC5-(2,2-difluoroethoxy)-1H-indole
SMILESFC(F)COc1ccc2[nH]ccc2c1
InChIInChI=1S/C10H9F2NO/c11-10(12)6-14-8-1-2-9-7(5-8)3-4-13-9/h1-5,10,13H,6H2
InChIKeyDXFFYNFQHRCEQI-UHFFFAOYSA-N
MW197.18 g/mol
LogP2.81
Rot. Bonds3

About 5-(2,2-difluoroethoxy)-1H-indole

5-(2,2-difluoroethoxy)-1H-indole (PubChem CID 79885106) has the molecular formula C10H9F2NO and a molecular weight of 197.18 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-1H-indole.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)-1H-indole
PubChem CID79885106
Molecular FormulaC10H9F2NO
Molecular Weight197.18 g/mol
Exact Mass197.07
IUPAC Name5-(2,2-difluoroethoxy)-1H-indole
SMILESFC(F)COc1ccc2[nH]ccc2c1
InChIInChI=1S/C10H9F2NO/c11-10(12)6-14-8-1-2-9-7(5-8)3-4-13-9/h1-5,10,13H,6H2
InChIKeyDXFFYNFQHRCEQI-UHFFFAOYSA-N
XLogP2.81
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)-1H-indole?
The IUPAC name of 5-(2,2-difluoroethoxy)-1H-indole (CID 79885106) is 5-(2,2-difluoroethoxy)-1H-indole.
What is the SMILES notation for 5-(2,2-difluoroethoxy)-1H-indole?
The canonical SMILES for 5-(2,2-difluoroethoxy)-1H-indole is FC(F)COc1ccc2[nH]ccc2c1.
What is the InChIKey of 5-(2,2-difluoroethoxy)-1H-indole?
The InChIKey is DXFFYNFQHRCEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO/c11-10(12)6-14-8-1-2-9-7(5-8)3-4-13-9/h1-5,10,13H,6H2.
What are the key properties of 5-(2,2-difluoroethoxy)-1H-indole?
5-(2,2-difluoroethoxy)-1H-indole has a molecular weight of 197.18 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)-1H-indole is sourced from PubChem (CID 79885106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).