2-fluoro-4-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)aniline

C14H12FN5O — CID 135178731

IUPAC2-fluoro-4-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)aniline
SMILESCOc1ccc(-c2cc(F)c(N)cc2-c2nn[nH]n2)cc1
InChIInChI=1S/C14H12FN5O/c1-21-9-4-2-8(3-5-9)10-6-12(15)13(16)7-11(10)14-17-19-20-18-14/h2-7H,16H2,1H3,(H,17,18,19,20)
InChIKeySSQGRFRHYUYJQE-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.26
Rot. Bonds3

About 2-fluoro-4-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)aniline

2-fluoro-4-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)aniline (PubChem CID 135178731) has the molecular formula C14H12FN5O and a molecular weight of 285.28 g/mol. Its IUPAC name is 2-fluoro-4-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)aniline.

Molecular Properties

Compound Name2-fluoro-4-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)aniline
PubChem CID135178731
Molecular FormulaC14H12FN5O
Molecular Weight285.28 g/mol
Exact Mass285.10
IUPAC Name2-fluoro-4-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)aniline
SMILESCOc1ccc(-c2cc(F)c(N)cc2-c2nn[nH]n2)cc1
InChIInChI=1S/C14H12FN5O/c1-21-9-4-2-8(3-5-9)10-6-12(15)13(16)7-11(10)14-17-19-20-18-14/h2-7H,16H2,1H3,(H,17,18,19,20)
InChIKeySSQGRFRHYUYJQE-UHFFFAOYSA-N
XLogP2.26
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.26
H-Bond Donors ≤ 52
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 2-fluoro-4-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)aniline?
The IUPAC name of 2-fluoro-4-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)aniline (CID 135178731) is 2-fluoro-4-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)aniline.
What is the SMILES notation for 2-fluoro-4-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)aniline?
The canonical SMILES for 2-fluoro-4-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)aniline is COc1ccc(-c2cc(F)c(N)cc2-c2nn[nH]n2)cc1.
What is the InChIKey of 2-fluoro-4-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)aniline?
The InChIKey is SSQGRFRHYUYJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O/c1-21-9-4-2-8(3-5-9)10-6-12(15)13(16)7-11(10)14-17-19-20-18-14/h2-7H,16H2,1H3,(H,17,18,19,20).
What are the key properties of 2-fluoro-4-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)aniline?
2-fluoro-4-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)aniline has a molecular weight of 285.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)aniline is sourced from PubChem (CID 135178731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).