4-fluoro-2-[[4-(tetrazol-1-yl)anilino]methyl]phenol

C14H12FN5O — CID 103947423

IUPAC4-fluoro-2-[[4-(tetrazol-1-yl)anilino]methyl]phenol
SMILESOc1ccc(F)cc1CNc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C14H12FN5O/c15-11-1-6-14(21)10(7-11)8-16-12-2-4-13(5-3-12)20-9-17-18-19-20/h1-7,9,16,21H,8H2
InChIKeyVSAOIBSPNHWJMV-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.12
Rot. Bonds4

About 4-fluoro-2-[[4-(tetrazol-1-yl)anilino]methyl]phenol

4-fluoro-2-[[4-(tetrazol-1-yl)anilino]methyl]phenol (PubChem CID 103947423) has the molecular formula C14H12FN5O and a molecular weight of 285.28 g/mol. Its IUPAC name is 4-fluoro-2-[[4-(tetrazol-1-yl)anilino]methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[[4-(tetrazol-1-yl)anilino]methyl]phenol
PubChem CID103947423
Molecular FormulaC14H12FN5O
Molecular Weight285.28 g/mol
Exact Mass285.10
IUPAC Name4-fluoro-2-[[4-(tetrazol-1-yl)anilino]methyl]phenol
SMILESOc1ccc(F)cc1CNc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C14H12FN5O/c15-11-1-6-14(21)10(7-11)8-16-12-2-4-13(5-3-12)20-9-17-18-19-20/h1-7,9,16,21H,8H2
InChIKeyVSAOIBSPNHWJMV-UHFFFAOYSA-N
XLogP2.12
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(tetrazol-1-yl)anilino]methyl]benzene-1,3-diol
CID 28621740
N-[(5-bromo-2-fluorophenyl)methyl]-4-(tetrazol-1-yl)aniline
CID 28621637
4-[[4-(tetrazol-1-yl)anilino]methyl]phenol
CID 28621639
1-(4-fluorophenyl)tetrazole
CID 825628
4-fluoro-2-[(4-propylanilino)methyl]phenol
CID 103947766
[4-[(5-fluoro-2-hydroxyphenyl)methylamino]phenyl]methanesulfonamide
CID 107694380
N-(2-methylpropyl)-4-(tetrazol-1-yl)aniline
CID 28621711
N-[(5-ethylfuran-2-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62346303
2,4-bis(tetrazol-1-yl)phenol
CID 29060335
[4-(tetrazol-1-yl)phenyl]methanol
CID 67038028
2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 18081449
N-[(2-ethylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 115762701

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[4-(tetrazol-1-yl)anilino]methyl]phenol?
The IUPAC name of 4-fluoro-2-[[4-(tetrazol-1-yl)anilino]methyl]phenol (CID 103947423) is 4-fluoro-2-[[4-(tetrazol-1-yl)anilino]methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[[4-(tetrazol-1-yl)anilino]methyl]phenol?
The canonical SMILES for 4-fluoro-2-[[4-(tetrazol-1-yl)anilino]methyl]phenol is Oc1ccc(F)cc1CNc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 4-fluoro-2-[[4-(tetrazol-1-yl)anilino]methyl]phenol?
The InChIKey is VSAOIBSPNHWJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O/c15-11-1-6-14(21)10(7-11)8-16-12-2-4-13(5-3-12)20-9-17-18-19-20/h1-7,9,16,21H,8H2.
What are the key properties of 4-fluoro-2-[[4-(tetrazol-1-yl)anilino]methyl]phenol?
4-fluoro-2-[[4-(tetrazol-1-yl)anilino]methyl]phenol has a molecular weight of 285.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[4-(tetrazol-1-yl)anilino]methyl]phenol is sourced from PubChem (CID 103947423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).