5,7-difluoro-2-methyl-3-(2-methylpropyl)-1H-indole

C13H15F2N — CID 164776539

IUPAC5,7-difluoro-2-methyl-3-(2-methylpropyl)-1H-indole
SMILESCc1[nH]c2c(F)cc(F)cc2c1CC(C)C
InChIInChI=1S/C13H15F2N/c1-7(2)4-10-8(3)16-13-11(10)5-9(14)6-12(13)15/h5-7,16H,4H2,1-3H3
InChIKeyUSDWVZPSPOMSRY-UHFFFAOYSA-N
MW223.27 g/mol
LogP3.95
Rot. Bonds2

About 5,7-difluoro-2-methyl-3-(2-methylpropyl)-1H-indole

5,7-difluoro-2-methyl-3-(2-methylpropyl)-1H-indole (PubChem CID 164776539) has the molecular formula C13H15F2N and a molecular weight of 223.27 g/mol. Its IUPAC name is 5,7-difluoro-2-methyl-3-(2-methylpropyl)-1H-indole.

Molecular Properties

Compound Name5,7-difluoro-2-methyl-3-(2-methylpropyl)-1H-indole
PubChem CID164776539
Molecular FormulaC13H15F2N
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name5,7-difluoro-2-methyl-3-(2-methylpropyl)-1H-indole
SMILESCc1[nH]c2c(F)cc(F)cc2c1CC(C)C
InChIInChI=1S/C13H15F2N/c1-7(2)4-10-8(3)16-13-11(10)5-9(14)6-12(13)15/h5-7,16H,4H2,1-3H3
InChIKeyUSDWVZPSPOMSRY-UHFFFAOYSA-N
XLogP3.95
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-2-methyl-3-(2-methylpropyl)-1H-indole?
The IUPAC name of 5,7-difluoro-2-methyl-3-(2-methylpropyl)-1H-indole (CID 164776539) is 5,7-difluoro-2-methyl-3-(2-methylpropyl)-1H-indole.
What is the SMILES notation for 5,7-difluoro-2-methyl-3-(2-methylpropyl)-1H-indole?
The canonical SMILES for 5,7-difluoro-2-methyl-3-(2-methylpropyl)-1H-indole is Cc1[nH]c2c(F)cc(F)cc2c1CC(C)C.
What is the InChIKey of 5,7-difluoro-2-methyl-3-(2-methylpropyl)-1H-indole?
The InChIKey is USDWVZPSPOMSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N/c1-7(2)4-10-8(3)16-13-11(10)5-9(14)6-12(13)15/h5-7,16H,4H2,1-3H3.
What are the key properties of 5,7-difluoro-2-methyl-3-(2-methylpropyl)-1H-indole?
5,7-difluoro-2-methyl-3-(2-methylpropyl)-1H-indole has a molecular weight of 223.27 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-2-methyl-3-(2-methylpropyl)-1H-indole is sourced from PubChem (CID 164776539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).