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

C11H14FN5 — CID 61351874

IUPAC3-(1-butyltetrazol-5-yl)-4-fluoroaniline
SMILESCCCCn1nnnc1-c1cc(N)ccc1F
InChIInChI=1S/C11H14FN5/c1-2-3-6-17-11(14-15-16-17)9-7-8(13)4-5-10(9)12/h4-5,7H,2-3,6,13H2,1H3
InChIKeyMFAMDYANBDHACV-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.86
Rot. Bonds4

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

3-(1-butyltetrazol-5-yl)-4-fluoroaniline (PubChem CID 61351874) has the molecular formula C11H14FN5 and a molecular weight of 235.27 g/mol. Its IUPAC name is 3-(1-butyltetrazol-5-yl)-4-fluoroaniline.

Molecular Properties

Compound Name3-(1-butyltetrazol-5-yl)-4-fluoroaniline
PubChem CID61351874
Molecular FormulaC11H14FN5
Molecular Weight235.27 g/mol
Exact Mass235.12
IUPAC Name3-(1-butyltetrazol-5-yl)-4-fluoroaniline
SMILESCCCCn1nnnc1-c1cc(N)ccc1F
InChIInChI=1S/C11H14FN5/c1-2-3-6-17-11(14-15-16-17)9-7-8(13)4-5-10(9)12/h4-5,7H,2-3,6,13H2,1H3
InChIKeyMFAMDYANBDHACV-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 3-(1-butyltetrazol-5-yl)-4-fluoroaniline?
The IUPAC name of 3-(1-butyltetrazol-5-yl)-4-fluoroaniline (CID 61351874) is 3-(1-butyltetrazol-5-yl)-4-fluoroaniline.
What is the SMILES notation for 3-(1-butyltetrazol-5-yl)-4-fluoroaniline?
The canonical SMILES for 3-(1-butyltetrazol-5-yl)-4-fluoroaniline is CCCCn1nnnc1-c1cc(N)ccc1F.
What is the InChIKey of 3-(1-butyltetrazol-5-yl)-4-fluoroaniline?
The InChIKey is MFAMDYANBDHACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5/c1-2-3-6-17-11(14-15-16-17)9-7-8(13)4-5-10(9)12/h4-5,7H,2-3,6,13H2,1H3.
What are the key properties of 3-(1-butyltetrazol-5-yl)-4-fluoroaniline?
3-(1-butyltetrazol-5-yl)-4-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 3-(1-butyltetrazol-5-yl)-4-fluoroaniline is sourced from PubChem (CID 61351874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).