1-[1-(1,2-dihydroazet-3-yl)ethyl]-6-fluoroindole

C13H13FN2 — CID 142674303

IUPAC1-[1-(1,2-dihydroazet-3-yl)ethyl]-6-fluoroindole
SMILESCC(C1=CNC1)n1ccc2ccc(F)cc21
InChIInChI=1S/C13H13FN2/c1-9(11-7-15-8-11)16-5-4-10-2-3-12(14)6-13(10)16/h2-7,9,15H,8H2,1H3
InChIKeyWMUALYYWPXMZNQ-UHFFFAOYSA-N
MW216.26 g/mol
LogP2.83
Rot. Bonds2

About 1-[1-(1,2-dihydroazet-3-yl)ethyl]-6-fluoroindole

1-[1-(1,2-dihydroazet-3-yl)ethyl]-6-fluoroindole (PubChem CID 142674303) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 1-[1-(1,2-dihydroazet-3-yl)ethyl]-6-fluoroindole.

Molecular Properties

Compound Name1-[1-(1,2-dihydroazet-3-yl)ethyl]-6-fluoroindole
PubChem CID142674303
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name1-[1-(1,2-dihydroazet-3-yl)ethyl]-6-fluoroindole
SMILESCC(C1=CNC1)n1ccc2ccc(F)cc21
InChIInChI=1S/C13H13FN2/c1-9(11-7-15-8-11)16-5-4-10-2-3-12(14)6-13(10)16/h2-7,9,15H,8H2,1H3
InChIKeyWMUALYYWPXMZNQ-UHFFFAOYSA-N
XLogP2.83
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2-dihydroazet-3-yl)ethyl]-6-fluoroindole?
The IUPAC name of 1-[1-(1,2-dihydroazet-3-yl)ethyl]-6-fluoroindole (CID 142674303) is 1-[1-(1,2-dihydroazet-3-yl)ethyl]-6-fluoroindole.
What is the SMILES notation for 1-[1-(1,2-dihydroazet-3-yl)ethyl]-6-fluoroindole?
The canonical SMILES for 1-[1-(1,2-dihydroazet-3-yl)ethyl]-6-fluoroindole is CC(C1=CNC1)n1ccc2ccc(F)cc21.
What is the InChIKey of 1-[1-(1,2-dihydroazet-3-yl)ethyl]-6-fluoroindole?
The InChIKey is WMUALYYWPXMZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c1-9(11-7-15-8-11)16-5-4-10-2-3-12(14)6-13(10)16/h2-7,9,15H,8H2,1H3.
What are the key properties of 1-[1-(1,2-dihydroazet-3-yl)ethyl]-6-fluoroindole?
1-[1-(1,2-dihydroazet-3-yl)ethyl]-6-fluoroindole has a molecular weight of 216.26 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2-dihydroazet-3-yl)ethyl]-6-fluoroindole is sourced from PubChem (CID 142674303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).