4-(1-cyclobutyltetrazol-5-yl)-3-fluoroaniline

C11H12FN5 — CID 62414238

IUPAC4-(1-cyclobutyltetrazol-5-yl)-3-fluoroaniline
SMILESNc1ccc(-c2nnnn2C2CCC2)c(F)c1
InChIInChI=1S/C11H12FN5/c12-10-6-7(13)4-5-9(10)11-14-15-16-17(11)8-2-1-3-8/h4-6,8H,1-3,13H2
InChIKeyKCAYRAVAUWOBMD-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.79
Rot. Bonds2

About 4-(1-cyclobutyltetrazol-5-yl)-3-fluoroaniline

4-(1-cyclobutyltetrazol-5-yl)-3-fluoroaniline (PubChem CID 62414238) has the molecular formula C11H12FN5 and a molecular weight of 233.25 g/mol. Its IUPAC name is 4-(1-cyclobutyltetrazol-5-yl)-3-fluoroaniline.

Molecular Properties

Compound Name4-(1-cyclobutyltetrazol-5-yl)-3-fluoroaniline
PubChem CID62414238
Molecular FormulaC11H12FN5
Molecular Weight233.25 g/mol
Exact Mass233.11
IUPAC Name4-(1-cyclobutyltetrazol-5-yl)-3-fluoroaniline
SMILESNc1ccc(-c2nnnn2C2CCC2)c(F)c1
InChIInChI=1S/C11H12FN5/c12-10-6-7(13)4-5-9(10)11-14-15-16-17(11)8-2-1-3-8/h4-6,8H,1-3,13H2
InChIKeyKCAYRAVAUWOBMD-UHFFFAOYSA-N
XLogP1.79
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.79
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-(1-cyclobutyltetrazol-5-yl)-3-fluoroaniline?
The IUPAC name of 4-(1-cyclobutyltetrazol-5-yl)-3-fluoroaniline (CID 62414238) is 4-(1-cyclobutyltetrazol-5-yl)-3-fluoroaniline.
What is the SMILES notation for 4-(1-cyclobutyltetrazol-5-yl)-3-fluoroaniline?
The canonical SMILES for 4-(1-cyclobutyltetrazol-5-yl)-3-fluoroaniline is Nc1ccc(-c2nnnn2C2CCC2)c(F)c1.
What is the InChIKey of 4-(1-cyclobutyltetrazol-5-yl)-3-fluoroaniline?
The InChIKey is KCAYRAVAUWOBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5/c12-10-6-7(13)4-5-9(10)11-14-15-16-17(11)8-2-1-3-8/h4-6,8H,1-3,13H2.
What are the key properties of 4-(1-cyclobutyltetrazol-5-yl)-3-fluoroaniline?
4-(1-cyclobutyltetrazol-5-yl)-3-fluoroaniline has a molecular weight of 233.25 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclobutyltetrazol-5-yl)-3-fluoroaniline is sourced from PubChem (CID 62414238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).