4-(1-butyltetrazol-5-yl)-2-fluoroaniline

C11H14FN5 — CID 55103026

IUPAC4-(1-butyltetrazol-5-yl)-2-fluoroaniline
SMILESCCCCn1nnnc1-c1ccc(N)c(F)c1
InChIInChI=1S/C11H14FN5/c1-2-3-6-17-11(14-15-16-17)8-4-5-10(13)9(12)7-8/h4-5,7H,2-3,6,13H2,1H3
InChIKeyUEZOTJXIOANSOX-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.86
Rot. Bonds4

About 4-(1-butyltetrazol-5-yl)-2-fluoroaniline

4-(1-butyltetrazol-5-yl)-2-fluoroaniline (PubChem CID 55103026) has the molecular formula C11H14FN5 and a molecular weight of 235.27 g/mol. Its IUPAC name is 4-(1-butyltetrazol-5-yl)-2-fluoroaniline.

Molecular Properties

Compound Name4-(1-butyltetrazol-5-yl)-2-fluoroaniline
PubChem CID55103026
Molecular FormulaC11H14FN5
Molecular Weight235.27 g/mol
Exact Mass235.12
IUPAC Name4-(1-butyltetrazol-5-yl)-2-fluoroaniline
SMILESCCCCn1nnnc1-c1ccc(N)c(F)c1
InChIInChI=1S/C11H14FN5/c1-2-3-6-17-11(14-15-16-17)8-4-5-10(13)9(12)7-8/h4-5,7H,2-3,6,13H2,1H3
InChIKeyUEZOTJXIOANSOX-UHFFFAOYSA-N
XLogP1.86
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.86
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-butyltetrazol-5-yl)-2-fluoroaniline?
The IUPAC name of 4-(1-butyltetrazol-5-yl)-2-fluoroaniline (CID 55103026) is 4-(1-butyltetrazol-5-yl)-2-fluoroaniline.
What is the SMILES notation for 4-(1-butyltetrazol-5-yl)-2-fluoroaniline?
The canonical SMILES for 4-(1-butyltetrazol-5-yl)-2-fluoroaniline is CCCCn1nnnc1-c1ccc(N)c(F)c1.
What is the InChIKey of 4-(1-butyltetrazol-5-yl)-2-fluoroaniline?
The InChIKey is UEZOTJXIOANSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5/c1-2-3-6-17-11(14-15-16-17)8-4-5-10(13)9(12)7-8/h4-5,7H,2-3,6,13H2,1H3.
What are the key properties of 4-(1-butyltetrazol-5-yl)-2-fluoroaniline?
4-(1-butyltetrazol-5-yl)-2-fluoroaniline has a molecular weight of 235.27 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butyltetrazol-5-yl)-2-fluoroaniline is sourced from PubChem (CID 55103026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).