4-fluoro-3-[1-(2-methylpropyl)tetrazol-5-yl]aniline

C11H14FN5 — CID 61377924

IUPAC4-fluoro-3-[1-(2-methylpropyl)tetrazol-5-yl]aniline
SMILESCC(C)Cn1nnnc1-c1cc(N)ccc1F
InChIInChI=1S/C11H14FN5/c1-7(2)6-17-11(14-15-16-17)9-5-8(13)3-4-10(9)12/h3-5,7H,6,13H2,1-2H3
InChIKeyZUPCHZNDKLBPSX-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.72
Rot. Bonds3

About 4-fluoro-3-[1-(2-methylpropyl)tetrazol-5-yl]aniline

4-fluoro-3-[1-(2-methylpropyl)tetrazol-5-yl]aniline (PubChem CID 61377924) has the molecular formula C11H14FN5 and a molecular weight of 235.27 g/mol. Its IUPAC name is 4-fluoro-3-[1-(2-methylpropyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name4-fluoro-3-[1-(2-methylpropyl)tetrazol-5-yl]aniline
PubChem CID61377924
Molecular FormulaC11H14FN5
Molecular Weight235.27 g/mol
Exact Mass235.12
IUPAC Name4-fluoro-3-[1-(2-methylpropyl)tetrazol-5-yl]aniline
SMILESCC(C)Cn1nnnc1-c1cc(N)ccc1F
InChIInChI=1S/C11H14FN5/c1-7(2)6-17-11(14-15-16-17)9-5-8(13)3-4-10(9)12/h3-5,7H,6,13H2,1-2H3
InChIKeyZUPCHZNDKLBPSX-UHFFFAOYSA-N
XLogP1.72
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.72
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 4-fluoro-3-[1-(2-methylpropyl)tetrazol-5-yl]aniline?
The IUPAC name of 4-fluoro-3-[1-(2-methylpropyl)tetrazol-5-yl]aniline (CID 61377924) is 4-fluoro-3-[1-(2-methylpropyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 4-fluoro-3-[1-(2-methylpropyl)tetrazol-5-yl]aniline?
The canonical SMILES for 4-fluoro-3-[1-(2-methylpropyl)tetrazol-5-yl]aniline is CC(C)Cn1nnnc1-c1cc(N)ccc1F.
What is the InChIKey of 4-fluoro-3-[1-(2-methylpropyl)tetrazol-5-yl]aniline?
The InChIKey is ZUPCHZNDKLBPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5/c1-7(2)6-17-11(14-15-16-17)9-5-8(13)3-4-10(9)12/h3-5,7H,6,13H2,1-2H3.
What are the key properties of 4-fluoro-3-[1-(2-methylpropyl)tetrazol-5-yl]aniline?
4-fluoro-3-[1-(2-methylpropyl)tetrazol-5-yl]aniline has a molecular weight of 235.27 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[1-(2-methylpropyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61377924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).