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

C11H11F2NO — CID 155560625

IUPAC5-(2,3-difluoropropoxy)-1H-indole
SMILESFCC(F)COc1ccc2[nH]ccc2c1
InChIInChI=1S/C11H11F2NO/c12-6-9(13)7-15-10-1-2-11-8(5-10)3-4-14-11/h1-5,9,14H,6-7H2
InChIKeyQBKROKDKZQBAJT-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.85
Rot. Bonds4

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

5-(2,3-difluoropropoxy)-1H-indole (PubChem CID 155560625) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is 5-(2,3-difluoropropoxy)-1H-indole.

Molecular Properties

Compound Name5-(2,3-difluoropropoxy)-1H-indole
PubChem CID155560625
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name5-(2,3-difluoropropoxy)-1H-indole
SMILESFCC(F)COc1ccc2[nH]ccc2c1
InChIInChI=1S/C11H11F2NO/c12-6-9(13)7-15-10-1-2-11-8(5-10)3-4-14-11/h1-5,9,14H,6-7H2
InChIKeyQBKROKDKZQBAJT-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluoropropoxy)-1H-indole?
The IUPAC name of 5-(2,3-difluoropropoxy)-1H-indole (CID 155560625) is 5-(2,3-difluoropropoxy)-1H-indole.
What is the SMILES notation for 5-(2,3-difluoropropoxy)-1H-indole?
The canonical SMILES for 5-(2,3-difluoropropoxy)-1H-indole is FCC(F)COc1ccc2[nH]ccc2c1.
What is the InChIKey of 5-(2,3-difluoropropoxy)-1H-indole?
The InChIKey is QBKROKDKZQBAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO/c12-6-9(13)7-15-10-1-2-11-8(5-10)3-4-14-11/h1-5,9,14H,6-7H2.
What are the key properties of 5-(2,3-difluoropropoxy)-1H-indole?
5-(2,3-difluoropropoxy)-1H-indole has a molecular weight of 211.21 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluoropropoxy)-1H-indole is sourced from PubChem (CID 155560625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).