6-fluoro-3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]-1H-indole

C11H8FN5 — CID 135743630

IUPAC6-fluoro-3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]-1H-indole
SMILESFc1ccc2c(/C=C/c3nn[nH]n3)c[nH]c2c1
InChIInChI=1S/C11H8FN5/c12-8-2-3-9-7(6-13-10(9)5-8)1-4-11-14-16-17-15-11/h1-6,13H,(H,14,15,16,17)/b4-1+
InChIKeyJDBSZVDIUIRSDG-DAFODLJHSA-N
MW229.22 g/mol
LogP1.99
Rot. Bonds2

About 6-fluoro-3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]-1H-indole

6-fluoro-3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]-1H-indole (PubChem CID 135743630) has the molecular formula C11H8FN5 and a molecular weight of 229.22 g/mol. Its IUPAC name is 6-fluoro-3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]-1H-indole.

Molecular Properties

Compound Name6-fluoro-3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]-1H-indole
PubChem CID135743630
Molecular FormulaC11H8FN5
Molecular Weight229.22 g/mol
Exact Mass229.08
IUPAC Name6-fluoro-3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]-1H-indole
SMILESFc1ccc2c(/C=C/c3nn[nH]n3)c[nH]c2c1
InChIInChI=1S/C11H8FN5/c12-8-2-3-9-7(6-13-10(9)5-8)1-4-11-14-16-17-15-11/h1-6,13H,(H,14,15,16,17)/b4-1+
InChIKeyJDBSZVDIUIRSDG-DAFODLJHSA-N
XLogP1.99
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]-1H-indole?
The IUPAC name of 6-fluoro-3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]-1H-indole (CID 135743630) is 6-fluoro-3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]-1H-indole.
What is the SMILES notation for 6-fluoro-3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]-1H-indole?
The canonical SMILES for 6-fluoro-3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]-1H-indole is Fc1ccc2c(/C=C/c3nn[nH]n3)c[nH]c2c1.
What is the InChIKey of 6-fluoro-3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]-1H-indole?
The InChIKey is JDBSZVDIUIRSDG-DAFODLJHSA-N. The full InChI is InChI=1S/C11H8FN5/c12-8-2-3-9-7(6-13-10(9)5-8)1-4-11-14-16-17-15-11/h1-6,13H,(H,14,15,16,17)/b4-1+.
What are the key properties of 6-fluoro-3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]-1H-indole?
6-fluoro-3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]-1H-indole has a molecular weight of 229.22 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]-1H-indole is sourced from PubChem (CID 135743630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).