5-fluoro-2-(1-methyltetrazol-5-yl)oxyaniline

C8H8FN5O — CID 63149704

IUPAC5-fluoro-2-(1-methyltetrazol-5-yl)oxyaniline
SMILESCn1nnnc1Oc1ccc(F)cc1N
InChIInChI=1S/C8H8FN5O/c1-14-8(11-12-13-14)15-7-3-2-5(9)4-6(7)10/h2-4H,10H2,1H3
InChIKeyJKSJSBNLJCJLIN-UHFFFAOYSA-N
MW209.18 g/mol
LogP0.72
Rot. Bonds2

About 5-fluoro-2-(1-methyltetrazol-5-yl)oxyaniline

5-fluoro-2-(1-methyltetrazol-5-yl)oxyaniline (PubChem CID 63149704) has the molecular formula C8H8FN5O and a molecular weight of 209.18 g/mol. Its IUPAC name is 5-fluoro-2-(1-methyltetrazol-5-yl)oxyaniline.

Molecular Properties

Compound Name5-fluoro-2-(1-methyltetrazol-5-yl)oxyaniline
PubChem CID63149704
Molecular FormulaC8H8FN5O
Molecular Weight209.18 g/mol
Exact Mass209.07
IUPAC Name5-fluoro-2-(1-methyltetrazol-5-yl)oxyaniline
SMILESCn1nnnc1Oc1ccc(F)cc1N
InChIInChI=1S/C8H8FN5O/c1-14-8(11-12-13-14)15-7-3-2-5(9)4-6(7)10/h2-4H,10H2,1H3
InChIKeyJKSJSBNLJCJLIN-UHFFFAOYSA-N
XLogP0.72
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-methyltetrazol-5-yl)oxyaniline?
The IUPAC name of 5-fluoro-2-(1-methyltetrazol-5-yl)oxyaniline (CID 63149704) is 5-fluoro-2-(1-methyltetrazol-5-yl)oxyaniline.
What is the SMILES notation for 5-fluoro-2-(1-methyltetrazol-5-yl)oxyaniline?
The canonical SMILES for 5-fluoro-2-(1-methyltetrazol-5-yl)oxyaniline is Cn1nnnc1Oc1ccc(F)cc1N.
What is the InChIKey of 5-fluoro-2-(1-methyltetrazol-5-yl)oxyaniline?
The InChIKey is JKSJSBNLJCJLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN5O/c1-14-8(11-12-13-14)15-7-3-2-5(9)4-6(7)10/h2-4H,10H2,1H3.
What are the key properties of 5-fluoro-2-(1-methyltetrazol-5-yl)oxyaniline?
5-fluoro-2-(1-methyltetrazol-5-yl)oxyaniline has a molecular weight of 209.18 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-methyltetrazol-5-yl)oxyaniline is sourced from PubChem (CID 63149704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).