3-fluoro-N-(2H-tetrazol-5-ylmethyl)aniline

C8H8FN5 — CID 83698182

IUPAC3-fluoro-N-(2H-tetrazol-5-ylmethyl)aniline
SMILESFc1cccc(NCc2nn[nH]n2)c1
InChIInChI=1S/C8H8FN5/c9-6-2-1-3-7(4-6)10-5-8-11-13-14-12-8/h1-4,10H,5H2,(H,11,12,13,14)
InChIKeyWHSWSEHWMQHHQF-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.95
Rot. Bonds3

About 3-fluoro-N-(2H-tetrazol-5-ylmethyl)aniline

3-fluoro-N-(2H-tetrazol-5-ylmethyl)aniline (PubChem CID 83698182) has the molecular formula C8H8FN5 and a molecular weight of 193.19 g/mol. Its IUPAC name is 3-fluoro-N-(2H-tetrazol-5-ylmethyl)aniline.

Molecular Properties

Compound Name3-fluoro-N-(2H-tetrazol-5-ylmethyl)aniline
PubChem CID83698182
Molecular FormulaC8H8FN5
Molecular Weight193.19 g/mol
Exact Mass193.08
IUPAC Name3-fluoro-N-(2H-tetrazol-5-ylmethyl)aniline
SMILESFc1cccc(NCc2nn[nH]n2)c1
InChIInChI=1S/C8H8FN5/c9-6-2-1-3-7(4-6)10-5-8-11-13-14-12-8/h1-4,10H,5H2,(H,11,12,13,14)
InChIKeyWHSWSEHWMQHHQF-UHFFFAOYSA-N
XLogP0.95
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2H-tetrazol-5-ylmethyl)aniline?
The IUPAC name of 3-fluoro-N-(2H-tetrazol-5-ylmethyl)aniline (CID 83698182) is 3-fluoro-N-(2H-tetrazol-5-ylmethyl)aniline.
What is the SMILES notation for 3-fluoro-N-(2H-tetrazol-5-ylmethyl)aniline?
The canonical SMILES for 3-fluoro-N-(2H-tetrazol-5-ylmethyl)aniline is Fc1cccc(NCc2nn[nH]n2)c1.
What is the InChIKey of 3-fluoro-N-(2H-tetrazol-5-ylmethyl)aniline?
The InChIKey is WHSWSEHWMQHHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN5/c9-6-2-1-3-7(4-6)10-5-8-11-13-14-12-8/h1-4,10H,5H2,(H,11,12,13,14).
What are the key properties of 3-fluoro-N-(2H-tetrazol-5-ylmethyl)aniline?
3-fluoro-N-(2H-tetrazol-5-ylmethyl)aniline has a molecular weight of 193.19 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2H-tetrazol-5-ylmethyl)aniline is sourced from PubChem (CID 83698182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).