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

C11H11F2NO — CID 155547246

IUPAC5-(3,3-difluoropropoxy)-1H-indole
SMILESFC(F)CCOc1ccc2[nH]ccc2c1
InChIInChI=1S/C11H11F2NO/c12-11(13)4-6-15-9-1-2-10-8(7-9)3-5-14-10/h1-3,5,7,11,14H,4,6H2
InChIKeyQNBKRCWVOUFEAW-UHFFFAOYSA-N
MW211.21 g/mol
LogP3.20
Rot. Bonds4

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

5-(3,3-difluoropropoxy)-1H-indole (PubChem CID 155547246) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is 5-(3,3-difluoropropoxy)-1H-indole.

Molecular Properties

Compound Name5-(3,3-difluoropropoxy)-1H-indole
PubChem CID155547246
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name5-(3,3-difluoropropoxy)-1H-indole
SMILESFC(F)CCOc1ccc2[nH]ccc2c1
InChIInChI=1S/C11H11F2NO/c12-11(13)4-6-15-9-1-2-10-8(7-9)3-5-14-10/h1-3,5,7,11,14H,4,6H2
InChIKeyQNBKRCWVOUFEAW-UHFFFAOYSA-N
XLogP3.20
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-(3,3-difluoropropoxy)-1H-indole?
The IUPAC name of 5-(3,3-difluoropropoxy)-1H-indole (CID 155547246) is 5-(3,3-difluoropropoxy)-1H-indole.
What is the SMILES notation for 5-(3,3-difluoropropoxy)-1H-indole?
The canonical SMILES for 5-(3,3-difluoropropoxy)-1H-indole is FC(F)CCOc1ccc2[nH]ccc2c1.
What is the InChIKey of 5-(3,3-difluoropropoxy)-1H-indole?
The InChIKey is QNBKRCWVOUFEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO/c12-11(13)4-6-15-9-1-2-10-8(7-9)3-5-14-10/h1-3,5,7,11,14H,4,6H2.
What are the key properties of 5-(3,3-difluoropropoxy)-1H-indole?
5-(3,3-difluoropropoxy)-1H-indole has a molecular weight of 211.21 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluoropropoxy)-1H-indole is sourced from PubChem (CID 155547246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).