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

C14H12FN5O — CID 61352442

IUPAC4-fluoro-2-[1-(4-methoxyphenyl)tetrazol-5-yl]aniline
SMILESCOc1ccc(-n2nnnc2-c2cc(F)ccc2N)cc1
InChIInChI=1S/C14H12FN5O/c1-21-11-5-3-10(4-6-11)20-14(17-18-19-20)12-8-9(15)2-7-13(12)16/h2-8H,16H2,1H3
InChIKeyVSJZOWBNEJQRNV-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.06
Rot. Bonds3

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

4-fluoro-2-[1-(4-methoxyphenyl)tetrazol-5-yl]aniline (PubChem CID 61352442) has the molecular formula C14H12FN5O and a molecular weight of 285.28 g/mol. Its IUPAC name is 4-fluoro-2-[1-(4-methoxyphenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name4-fluoro-2-[1-(4-methoxyphenyl)tetrazol-5-yl]aniline
PubChem CID61352442
Molecular FormulaC14H12FN5O
Molecular Weight285.28 g/mol
Exact Mass285.10
IUPAC Name4-fluoro-2-[1-(4-methoxyphenyl)tetrazol-5-yl]aniline
SMILESCOc1ccc(-n2nnnc2-c2cc(F)ccc2N)cc1
InChIInChI=1S/C14H12FN5O/c1-21-11-5-3-10(4-6-11)20-14(17-18-19-20)12-8-9(15)2-7-13(12)16/h2-8H,16H2,1H3
InChIKeyVSJZOWBNEJQRNV-UHFFFAOYSA-N
XLogP2.06
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.06
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 4-fluoro-2-[1-(4-methoxyphenyl)tetrazol-5-yl]aniline?
The IUPAC name of 4-fluoro-2-[1-(4-methoxyphenyl)tetrazol-5-yl]aniline (CID 61352442) is 4-fluoro-2-[1-(4-methoxyphenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 4-fluoro-2-[1-(4-methoxyphenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 4-fluoro-2-[1-(4-methoxyphenyl)tetrazol-5-yl]aniline is COc1ccc(-n2nnnc2-c2cc(F)ccc2N)cc1.
What is the InChIKey of 4-fluoro-2-[1-(4-methoxyphenyl)tetrazol-5-yl]aniline?
The InChIKey is VSJZOWBNEJQRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O/c1-21-11-5-3-10(4-6-11)20-14(17-18-19-20)12-8-9(15)2-7-13(12)16/h2-8H,16H2,1H3.
What are the key properties of 4-fluoro-2-[1-(4-methoxyphenyl)tetrazol-5-yl]aniline?
4-fluoro-2-[1-(4-methoxyphenyl)tetrazol-5-yl]aniline has a molecular weight of 285.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[1-(4-methoxyphenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61352442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).