(Z)-1-(4-fluorophenyl)-N-(1,2,4-triazol-4-ylmethoxy)ethanimine

C11H11FN4O — CID 102088102

IUPAC(Z)-1-(4-fluorophenyl)-N-(1,2,4-triazol-4-ylmethoxy)ethanimine
SMILESC/C(=N/OCn1cnnc1)c1ccc(F)cc1
InChIInChI=1S/C11H11FN4O/c1-9(10-2-4-11(12)5-3-10)15-17-8-16-6-13-14-7-16/h2-7H,8H2,1H3/b15-9-
InChIKeyYQYZQPIBZUOEHZ-DHDCSXOGSA-N
MW234.23 g/mol
LogP1.82
Rot. Bonds4

About (Z)-1-(4-fluorophenyl)-N-(1,2,4-triazol-4-ylmethoxy)ethanimine

(Z)-1-(4-fluorophenyl)-N-(1,2,4-triazol-4-ylmethoxy)ethanimine (PubChem CID 102088102) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is (Z)-1-(4-fluorophenyl)-N-(1,2,4-triazol-4-ylmethoxy)ethanimine.

Molecular Properties

Compound Name(Z)-1-(4-fluorophenyl)-N-(1,2,4-triazol-4-ylmethoxy)ethanimine
PubChem CID102088102
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name(Z)-1-(4-fluorophenyl)-N-(1,2,4-triazol-4-ylmethoxy)ethanimine
SMILESC/C(=N/OCn1cnnc1)c1ccc(F)cc1
InChIInChI=1S/C11H11FN4O/c1-9(10-2-4-11(12)5-3-10)15-17-8-16-6-13-14-7-16/h2-7H,8H2,1H3/b15-9-
InChIKeyYQYZQPIBZUOEHZ-DHDCSXOGSA-N
XLogP1.82
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-fluorophenyl)-N-(1,2,4-triazol-4-ylmethoxy)ethanimine?
The IUPAC name of (Z)-1-(4-fluorophenyl)-N-(1,2,4-triazol-4-ylmethoxy)ethanimine (CID 102088102) is (Z)-1-(4-fluorophenyl)-N-(1,2,4-triazol-4-ylmethoxy)ethanimine.
What is the SMILES notation for (Z)-1-(4-fluorophenyl)-N-(1,2,4-triazol-4-ylmethoxy)ethanimine?
The canonical SMILES for (Z)-1-(4-fluorophenyl)-N-(1,2,4-triazol-4-ylmethoxy)ethanimine is C/C(=N/OCn1cnnc1)c1ccc(F)cc1.
What is the InChIKey of (Z)-1-(4-fluorophenyl)-N-(1,2,4-triazol-4-ylmethoxy)ethanimine?
The InChIKey is YQYZQPIBZUOEHZ-DHDCSXOGSA-N. The full InChI is InChI=1S/C11H11FN4O/c1-9(10-2-4-11(12)5-3-10)15-17-8-16-6-13-14-7-16/h2-7H,8H2,1H3/b15-9-.
What are the key properties of (Z)-1-(4-fluorophenyl)-N-(1,2,4-triazol-4-ylmethoxy)ethanimine?
(Z)-1-(4-fluorophenyl)-N-(1,2,4-triazol-4-ylmethoxy)ethanimine has a molecular weight of 234.23 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-fluorophenyl)-N-(1,2,4-triazol-4-ylmethoxy)ethanimine is sourced from PubChem (CID 102088102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).