2-fluoro-5-(1-hexan-2-yltetrazol-5-yl)aniline

C13H18FN5 — CID 62198986

IUPAC2-fluoro-5-(1-hexan-2-yltetrazol-5-yl)aniline
SMILESCCCCC(C)n1nnnc1-c1ccc(F)c(N)c1
InChIInChI=1S/C13H18FN5/c1-3-4-5-9(2)19-13(16-17-18-19)10-6-7-11(14)12(15)8-10/h6-9H,3-5,15H2,1-2H3
InChIKeyRBWCPRYKCKRGCG-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.81
Rot. Bonds5

About 2-fluoro-5-(1-hexan-2-yltetrazol-5-yl)aniline

2-fluoro-5-(1-hexan-2-yltetrazol-5-yl)aniline (PubChem CID 62198986) has the molecular formula C13H18FN5 and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-fluoro-5-(1-hexan-2-yltetrazol-5-yl)aniline.

Molecular Properties

Compound Name2-fluoro-5-(1-hexan-2-yltetrazol-5-yl)aniline
PubChem CID62198986
Molecular FormulaC13H18FN5
Molecular Weight263.32 g/mol
Exact Mass263.15
IUPAC Name2-fluoro-5-(1-hexan-2-yltetrazol-5-yl)aniline
SMILESCCCCC(C)n1nnnc1-c1ccc(F)c(N)c1
InChIInChI=1S/C13H18FN5/c1-3-4-5-9(2)19-13(16-17-18-19)10-6-7-11(14)12(15)8-10/h6-9H,3-5,15H2,1-2H3
InChIKeyRBWCPRYKCKRGCG-UHFFFAOYSA-N
XLogP2.81
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-fluoro-5-(1-hexan-2-yltetrazol-5-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(1-hexan-2-yltetrazol-5-yl)aniline?
The IUPAC name of 2-fluoro-5-(1-hexan-2-yltetrazol-5-yl)aniline (CID 62198986) is 2-fluoro-5-(1-hexan-2-yltetrazol-5-yl)aniline.
What is the SMILES notation for 2-fluoro-5-(1-hexan-2-yltetrazol-5-yl)aniline?
The canonical SMILES for 2-fluoro-5-(1-hexan-2-yltetrazol-5-yl)aniline is CCCCC(C)n1nnnc1-c1ccc(F)c(N)c1.
What is the InChIKey of 2-fluoro-5-(1-hexan-2-yltetrazol-5-yl)aniline?
The InChIKey is RBWCPRYKCKRGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN5/c1-3-4-5-9(2)19-13(16-17-18-19)10-6-7-11(14)12(15)8-10/h6-9H,3-5,15H2,1-2H3.
What are the key properties of 2-fluoro-5-(1-hexan-2-yltetrazol-5-yl)aniline?
2-fluoro-5-(1-hexan-2-yltetrazol-5-yl)aniline has a molecular weight of 263.32 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(1-hexan-2-yltetrazol-5-yl)aniline is sourced from PubChem (CID 62198986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).