1,3-diethyl-5-fluoro-2-(2H-tetrazol-5-yl)indole

C13H14FN5 — CID 175114950

IUPAC1,3-diethyl-5-fluoro-2-(2H-tetrazol-5-yl)indole
SMILESCCc1c(-c2nn[nH]n2)n(CC)c2ccc(F)cc12
InChIInChI=1S/C13H14FN5/c1-3-9-10-7-8(14)5-6-11(10)19(4-2)12(9)13-15-17-18-16-13/h5-7H,3-4H2,1-2H3,(H,15,16,17,18)
InChIKeyUWDARXTXILPAPH-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.54
Rot. Bonds3

About 1,3-diethyl-5-fluoro-2-(2H-tetrazol-5-yl)indole

1,3-diethyl-5-fluoro-2-(2H-tetrazol-5-yl)indole (PubChem CID 175114950) has the molecular formula C13H14FN5 and a molecular weight of 259.29 g/mol. Its IUPAC name is 1,3-diethyl-5-fluoro-2-(2H-tetrazol-5-yl)indole.

Molecular Properties

Compound Name1,3-diethyl-5-fluoro-2-(2H-tetrazol-5-yl)indole
PubChem CID175114950
Molecular FormulaC13H14FN5
Molecular Weight259.29 g/mol
Exact Mass259.12
IUPAC Name1,3-diethyl-5-fluoro-2-(2H-tetrazol-5-yl)indole
SMILESCCc1c(-c2nn[nH]n2)n(CC)c2ccc(F)cc12
InChIInChI=1S/C13H14FN5/c1-3-9-10-7-8(14)5-6-11(10)19(4-2)12(9)13-15-17-18-16-13/h5-7H,3-4H2,1-2H3,(H,15,16,17,18)
InChIKeyUWDARXTXILPAPH-UHFFFAOYSA-N
XLogP2.54
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1,3-diethyl-5-fluoro-2-(2H-tetrazol-5-yl)indole?
The IUPAC name of 1,3-diethyl-5-fluoro-2-(2H-tetrazol-5-yl)indole (CID 175114950) is 1,3-diethyl-5-fluoro-2-(2H-tetrazol-5-yl)indole.
What is the SMILES notation for 1,3-diethyl-5-fluoro-2-(2H-tetrazol-5-yl)indole?
The canonical SMILES for 1,3-diethyl-5-fluoro-2-(2H-tetrazol-5-yl)indole is CCc1c(-c2nn[nH]n2)n(CC)c2ccc(F)cc12.
What is the InChIKey of 1,3-diethyl-5-fluoro-2-(2H-tetrazol-5-yl)indole?
The InChIKey is UWDARXTXILPAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5/c1-3-9-10-7-8(14)5-6-11(10)19(4-2)12(9)13-15-17-18-16-13/h5-7H,3-4H2,1-2H3,(H,15,16,17,18).
What are the key properties of 1,3-diethyl-5-fluoro-2-(2H-tetrazol-5-yl)indole?
1,3-diethyl-5-fluoro-2-(2H-tetrazol-5-yl)indole has a molecular weight of 259.29 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-5-fluoro-2-(2H-tetrazol-5-yl)indole is sourced from PubChem (CID 175114950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).