4-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline

C9H10FN5 — CID 61367794

IUPAC4-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline
SMILESFc1ccc(NCCc2nn[nH]n2)cc1
InChIInChI=1S/C9H10FN5/c10-7-1-3-8(4-2-7)11-6-5-9-12-14-15-13-9/h1-4,11H,5-6H2,(H,12,13,14,15)
InChIKeyQLYXFISQJYETJG-UHFFFAOYSA-N
MW207.21 g/mol
LogP0.99
Rot. Bonds4

About 4-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline

4-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline (PubChem CID 61367794) has the molecular formula C9H10FN5 and a molecular weight of 207.21 g/mol. Its IUPAC name is 4-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline
PubChem CID61367794
Molecular FormulaC9H10FN5
Molecular Weight207.21 g/mol
Exact Mass207.09
IUPAC Name4-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline
SMILESFc1ccc(NCCc2nn[nH]n2)cc1
InChIInChI=1S/C9H10FN5/c10-7-1-3-8(4-2-7)11-6-5-9-12-14-15-13-9/h1-4,11H,5-6H2,(H,12,13,14,15)
InChIKeyQLYXFISQJYETJG-UHFFFAOYSA-N
XLogP0.99
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline?
The IUPAC name of 4-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline (CID 61367794) is 4-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline.
What is the SMILES notation for 4-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline?
The canonical SMILES for 4-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline is Fc1ccc(NCCc2nn[nH]n2)cc1.
What is the InChIKey of 4-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline?
The InChIKey is QLYXFISQJYETJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5/c10-7-1-3-8(4-2-7)11-6-5-9-12-14-15-13-9/h1-4,11H,5-6H2,(H,12,13,14,15).
What are the key properties of 4-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline?
4-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline has a molecular weight of 207.21 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline is sourced from PubChem (CID 61367794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).