2-[1-(4-fluorophenyl)tetrazol-5-yl]aniline

C13H10FN5 — CID 61353418

IUPAC2-[1-(4-fluorophenyl)tetrazol-5-yl]aniline
SMILESNc1ccccc1-c1nnnn1-c1ccc(F)cc1
InChIInChI=1S/C13H10FN5/c14-9-5-7-10(8-6-9)19-13(16-17-18-19)11-3-1-2-4-12(11)15/h1-8H,15H2
InChIKeyHGQNORXCFXXNOC-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.05
Rot. Bonds2

About 2-[1-(4-fluorophenyl)tetrazol-5-yl]aniline

2-[1-(4-fluorophenyl)tetrazol-5-yl]aniline (PubChem CID 61353418) has the molecular formula C13H10FN5 and a molecular weight of 255.26 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)tetrazol-5-yl]aniline
PubChem CID61353418
Molecular FormulaC13H10FN5
Molecular Weight255.26 g/mol
Exact Mass255.09
IUPAC Name2-[1-(4-fluorophenyl)tetrazol-5-yl]aniline
SMILESNc1ccccc1-c1nnnn1-c1ccc(F)cc1
InChIInChI=1S/C13H10FN5/c14-9-5-7-10(8-6-9)19-13(16-17-18-19)11-3-1-2-4-12(11)15/h1-8H,15H2
InChIKeyHGQNORXCFXXNOC-UHFFFAOYSA-N
XLogP2.05
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)tetrazol-5-yl]aniline?
The IUPAC name of 2-[1-(4-fluorophenyl)tetrazol-5-yl]aniline (CID 61353418) is 2-[1-(4-fluorophenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2-[1-(4-fluorophenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2-[1-(4-fluorophenyl)tetrazol-5-yl]aniline is Nc1ccccc1-c1nnnn1-c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)tetrazol-5-yl]aniline?
The InChIKey is HGQNORXCFXXNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5/c14-9-5-7-10(8-6-9)19-13(16-17-18-19)11-3-1-2-4-12(11)15/h1-8H,15H2.
What are the key properties of 2-[1-(4-fluorophenyl)tetrazol-5-yl]aniline?
2-[1-(4-fluorophenyl)tetrazol-5-yl]aniline has a molecular weight of 255.26 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61353418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).