(4Z)-4-[(4-fluorophenyl)-methylhydrazinylidene]-2-methylpentan-1-ol

C13H19FN2O — CID 142922945

IUPAC(4Z)-4-[(4-fluorophenyl)-methylhydrazinylidene]-2-methylpentan-1-ol
SMILESC/C(CC(C)CO)=N/N(C)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-10(9-17)8-11(2)15-16(3)13-6-4-12(14)5-7-13/h4-7,10,17H,8-9H2,1-3H3/b15-11-
InChIKeyNDDZOOPUJKBQPT-PTNGSMBKSA-N
MW238.31 g/mol
LogP2.66
Rot. Bonds5

About (4Z)-4-[(4-fluorophenyl)-methylhydrazinylidene]-2-methylpentan-1-ol

(4Z)-4-[(4-fluorophenyl)-methylhydrazinylidene]-2-methylpentan-1-ol (PubChem CID 142922945) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is (4Z)-4-[(4-fluorophenyl)-methylhydrazinylidene]-2-methylpentan-1-ol.

Molecular Properties

Compound Name(4Z)-4-[(4-fluorophenyl)-methylhydrazinylidene]-2-methylpentan-1-ol
PubChem CID142922945
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name(4Z)-4-[(4-fluorophenyl)-methylhydrazinylidene]-2-methylpentan-1-ol
SMILESC/C(CC(C)CO)=N/N(C)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-10(9-17)8-11(2)15-16(3)13-6-4-12(14)5-7-13/h4-7,10,17H,8-9H2,1-3H3/b15-11-
InChIKeyNDDZOOPUJKBQPT-PTNGSMBKSA-N
XLogP2.66
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (4Z)-4-[(4-fluorophenyl)-methylhydrazinylidene]-2-methylpentan-1-ol?
The IUPAC name of (4Z)-4-[(4-fluorophenyl)-methylhydrazinylidene]-2-methylpentan-1-ol (CID 142922945) is (4Z)-4-[(4-fluorophenyl)-methylhydrazinylidene]-2-methylpentan-1-ol.
What is the SMILES notation for (4Z)-4-[(4-fluorophenyl)-methylhydrazinylidene]-2-methylpentan-1-ol?
The canonical SMILES for (4Z)-4-[(4-fluorophenyl)-methylhydrazinylidene]-2-methylpentan-1-ol is C/C(CC(C)CO)=N/N(C)c1ccc(F)cc1.
What is the InChIKey of (4Z)-4-[(4-fluorophenyl)-methylhydrazinylidene]-2-methylpentan-1-ol?
The InChIKey is NDDZOOPUJKBQPT-PTNGSMBKSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-10(9-17)8-11(2)15-16(3)13-6-4-12(14)5-7-13/h4-7,10,17H,8-9H2,1-3H3/b15-11-.
What are the key properties of (4Z)-4-[(4-fluorophenyl)-methylhydrazinylidene]-2-methylpentan-1-ol?
(4Z)-4-[(4-fluorophenyl)-methylhydrazinylidene]-2-methylpentan-1-ol has a molecular weight of 238.31 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(4-fluorophenyl)-methylhydrazinylidene]-2-methylpentan-1-ol is sourced from PubChem (CID 142922945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).