[1-(3-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine

C12H19FN2O — CID 103025183

IUPAC[1-(3-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine
SMILESCOC(C)(C)CC(NN)c1cccc(F)c1
InChIInChI=1S/C12H19FN2O/c1-12(2,16-3)8-11(15-14)9-5-4-6-10(13)7-9/h4-7,11,15H,8,14H2,1-3H3
InChIKeyGBQFTEOCPIGJLJ-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.15
Rot. Bonds5

About [1-(3-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine

[1-(3-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine (PubChem CID 103025183) has the molecular formula C12H19FN2O and a molecular weight of 226.30 g/mol. Its IUPAC name is [1-(3-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(3-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine
PubChem CID103025183
Molecular FormulaC12H19FN2O
Molecular Weight226.30 g/mol
Exact Mass226.15
IUPAC Name[1-(3-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine
SMILESCOC(C)(C)CC(NN)c1cccc(F)c1
InChIInChI=1S/C12H19FN2O/c1-12(2,16-3)8-11(15-14)9-5-4-6-10(13)7-9/h4-7,11,15H,8,14H2,1-3H3
InChIKeyGBQFTEOCPIGJLJ-UHFFFAOYSA-N
XLogP2.15
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 [1-(3-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine?
The IUPAC name of [1-(3-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine (CID 103025183) is [1-(3-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine.
What is the SMILES notation for [1-(3-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine?
The canonical SMILES for [1-(3-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine is COC(C)(C)CC(NN)c1cccc(F)c1.
What is the InChIKey of [1-(3-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine?
The InChIKey is GBQFTEOCPIGJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-12(2,16-3)8-11(15-14)9-5-4-6-10(13)7-9/h4-7,11,15H,8,14H2,1-3H3.
What are the key properties of [1-(3-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine?
[1-(3-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine has a molecular weight of 226.30 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine is sourced from PubChem (CID 103025183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).