4-fluoro-2-N-(2H-tetrazol-5-ylmethyl)benzene-1,2-diamine

C8H9FN6 — CID 62376635

IUPAC4-fluoro-2-N-(2H-tetrazol-5-ylmethyl)benzene-1,2-diamine
SMILESNc1ccc(F)cc1NCc1nn[nH]n1
InChIInChI=1S/C8H9FN6/c9-5-1-2-6(10)7(3-5)11-4-8-12-14-15-13-8/h1-3,11H,4,10H2,(H,12,13,14,15)
InChIKeyRNOOOCIACREVBO-UHFFFAOYSA-N
MW208.20 g/mol
LogP0.53
Rot. Bonds3

About 4-fluoro-2-N-(2H-tetrazol-5-ylmethyl)benzene-1,2-diamine

4-fluoro-2-N-(2H-tetrazol-5-ylmethyl)benzene-1,2-diamine (PubChem CID 62376635) has the molecular formula C8H9FN6 and a molecular weight of 208.20 g/mol. Its IUPAC name is 4-fluoro-2-N-(2H-tetrazol-5-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-2-N-(2H-tetrazol-5-ylmethyl)benzene-1,2-diamine
PubChem CID62376635
Molecular FormulaC8H9FN6
Molecular Weight208.20 g/mol
Exact Mass208.09
IUPAC Name4-fluoro-2-N-(2H-tetrazol-5-ylmethyl)benzene-1,2-diamine
SMILESNc1ccc(F)cc1NCc1nn[nH]n1
InChIInChI=1S/C8H9FN6/c9-5-1-2-6(10)7(3-5)11-4-8-12-14-15-13-8/h1-3,11H,4,10H2,(H,12,13,14,15)
InChIKeyRNOOOCIACREVBO-UHFFFAOYSA-N
XLogP0.53
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 50.53
H-Bond Donors ≤ 53
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 4-fluoro-2-N-(2H-tetrazol-5-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-2-N-(2H-tetrazol-5-ylmethyl)benzene-1,2-diamine (CID 62376635) is 4-fluoro-2-N-(2H-tetrazol-5-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-2-N-(2H-tetrazol-5-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-2-N-(2H-tetrazol-5-ylmethyl)benzene-1,2-diamine is Nc1ccc(F)cc1NCc1nn[nH]n1.
What is the InChIKey of 4-fluoro-2-N-(2H-tetrazol-5-ylmethyl)benzene-1,2-diamine?
The InChIKey is RNOOOCIACREVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN6/c9-5-1-2-6(10)7(3-5)11-4-8-12-14-15-13-8/h1-3,11H,4,10H2,(H,12,13,14,15).
What are the key properties of 4-fluoro-2-N-(2H-tetrazol-5-ylmethyl)benzene-1,2-diamine?
4-fluoro-2-N-(2H-tetrazol-5-ylmethyl)benzene-1,2-diamine has a molecular weight of 208.20 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-N-(2H-tetrazol-5-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 62376635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).