4-(2-fluorohydrazinyl)-2-methoxybenzonitrile

C8H8FN3O — CID 22392638

IUPAC4-(2-fluorohydrazinyl)-2-methoxybenzonitrile
SMILESCOc1cc(NNF)ccc1C#N
InChIInChI=1S/C8H8FN3O/c1-13-8-4-7(11-12-9)3-2-6(8)5-10/h2-4,11-12H,1H3
InChIKeyZTFABFDRFGEXRG-UHFFFAOYSA-N
MW181.17 g/mol
LogP1.37
Rot. Bonds3

About 4-(2-fluorohydrazinyl)-2-methoxybenzonitrile

4-(2-fluorohydrazinyl)-2-methoxybenzonitrile (PubChem CID 22392638) has the molecular formula C8H8FN3O and a molecular weight of 181.17 g/mol. Its IUPAC name is 4-(2-fluorohydrazinyl)-2-methoxybenzonitrile.

Molecular Properties

Compound Name4-(2-fluorohydrazinyl)-2-methoxybenzonitrile
PubChem CID22392638
Molecular FormulaC8H8FN3O
Molecular Weight181.17 g/mol
Exact Mass181.07
IUPAC Name4-(2-fluorohydrazinyl)-2-methoxybenzonitrile
SMILESCOc1cc(NNF)ccc1C#N
InChIInChI=1S/C8H8FN3O/c1-13-8-4-7(11-12-9)3-2-6(8)5-10/h2-4,11-12H,1H3
InChIKeyZTFABFDRFGEXRG-UHFFFAOYSA-N
XLogP1.37
TPSA57.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-fluorohydrazinyl)-2-methoxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorohydrazinyl)-2-methoxybenzonitrile?
The IUPAC name of 4-(2-fluorohydrazinyl)-2-methoxybenzonitrile (CID 22392638) is 4-(2-fluorohydrazinyl)-2-methoxybenzonitrile.
What is the SMILES notation for 4-(2-fluorohydrazinyl)-2-methoxybenzonitrile?
The canonical SMILES for 4-(2-fluorohydrazinyl)-2-methoxybenzonitrile is COc1cc(NNF)ccc1C#N.
What is the InChIKey of 4-(2-fluorohydrazinyl)-2-methoxybenzonitrile?
The InChIKey is ZTFABFDRFGEXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3O/c1-13-8-4-7(11-12-9)3-2-6(8)5-10/h2-4,11-12H,1H3.
What are the key properties of 4-(2-fluorohydrazinyl)-2-methoxybenzonitrile?
4-(2-fluorohydrazinyl)-2-methoxybenzonitrile has a molecular weight of 181.17 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorohydrazinyl)-2-methoxybenzonitrile is sourced from PubChem (CID 22392638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).