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

C11H11F2NO — CID 155521215

IUPAC5-(2,2-difluoropropoxy)-1H-indole
SMILESCC(F)(F)COc1ccc2[nH]ccc2c1
InChIInChI=1S/C11H11F2NO/c1-11(12,13)7-15-9-2-3-10-8(6-9)4-5-14-10/h2-6,14H,7H2,1H3
InChIKeyATYBYXSBVMHKHY-UHFFFAOYSA-N
MW211.21 g/mol
LogP3.20
Rot. Bonds3

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

5-(2,2-difluoropropoxy)-1H-indole (PubChem CID 155521215) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is 5-(2,2-difluoropropoxy)-1H-indole.

Molecular Properties

Compound Name5-(2,2-difluoropropoxy)-1H-indole
PubChem CID155521215
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name5-(2,2-difluoropropoxy)-1H-indole
SMILESCC(F)(F)COc1ccc2[nH]ccc2c1
InChIInChI=1S/C11H11F2NO/c1-11(12,13)7-15-9-2-3-10-8(6-9)4-5-14-10/h2-6,14H,7H2,1H3
InChIKeyATYBYXSBVMHKHY-UHFFFAOYSA-N
XLogP3.20
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoropropoxy)-1H-indole?
The IUPAC name of 5-(2,2-difluoropropoxy)-1H-indole (CID 155521215) is 5-(2,2-difluoropropoxy)-1H-indole.
What is the SMILES notation for 5-(2,2-difluoropropoxy)-1H-indole?
The canonical SMILES for 5-(2,2-difluoropropoxy)-1H-indole is CC(F)(F)COc1ccc2[nH]ccc2c1.
What is the InChIKey of 5-(2,2-difluoropropoxy)-1H-indole?
The InChIKey is ATYBYXSBVMHKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO/c1-11(12,13)7-15-9-2-3-10-8(6-9)4-5-14-10/h2-6,14H,7H2,1H3.
What are the key properties of 5-(2,2-difluoropropoxy)-1H-indole?
5-(2,2-difluoropropoxy)-1H-indole has a molecular weight of 211.21 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoropropoxy)-1H-indole is sourced from PubChem (CID 155521215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).