(E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine

C16H13FN4O — CID 5349808

IUPAC(E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
SMILESFc1ccccc1COc1ccc(/C=N/n2cnnc2)cc1
InChIInChI=1S/C16H13FN4O/c17-16-4-2-1-3-14(16)10-22-15-7-5-13(6-8-15)9-20-21-11-18-19-12-21/h1-9,11-12H,10H2/b20-9+
InChIKeyRYDSZZJLTKZIGY-AWQFTUOYSA-N
MW296.31 g/mol
LogP2.88
Rot. Bonds5

About (E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine

(E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 5349808) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is (E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID5349808
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name(E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
SMILESFc1ccccc1COc1ccc(/C=N/n2cnnc2)cc1
InChIInChI=1S/C16H13FN4O/c17-16-4-2-1-3-14(16)10-22-15-7-5-13(6-8-15)9-20-21-11-18-19-12-21/h1-9,11-12H,10H2/b20-9+
InChIKeyRYDSZZJLTKZIGY-AWQFTUOYSA-N
XLogP2.88
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine (CID 5349808) is (E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine is Fc1ccccc1COc1ccc(/C=N/n2cnnc2)cc1.
What is the InChIKey of (E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is RYDSZZJLTKZIGY-AWQFTUOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c17-16-4-2-1-3-14(16)10-22-15-7-5-13(6-8-15)9-20-21-11-18-19-12-21/h1-9,11-12H,10H2/b20-9+.
What are the key properties of (E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
(E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 296.31 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 5349808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).