[1-(2,6-difluoro-3-methylphenyl)-2-methoxybutyl]hydrazine

C12H18F2N2O — CID 105270622

IUPAC[1-(2,6-difluoro-3-methylphenyl)-2-methoxybutyl]hydrazine
SMILESCCC(OC)C(NN)c1c(F)ccc(C)c1F
InChIInChI=1S/C12H18F2N2O/c1-4-9(17-3)12(16-15)10-8(13)6-5-7(2)11(10)14/h5-6,9,12,16H,4,15H2,1-3H3
InChIKeyCMNHNKGWGCHGOB-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.20
Rot. Bonds5

About [1-(2,6-difluoro-3-methylphenyl)-2-methoxybutyl]hydrazine

[1-(2,6-difluoro-3-methylphenyl)-2-methoxybutyl]hydrazine (PubChem CID 105270622) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is [1-(2,6-difluoro-3-methylphenyl)-2-methoxybutyl]hydrazine.

Molecular Properties

Compound Name[1-(2,6-difluoro-3-methylphenyl)-2-methoxybutyl]hydrazine
PubChem CID105270622
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name[1-(2,6-difluoro-3-methylphenyl)-2-methoxybutyl]hydrazine
SMILESCCC(OC)C(NN)c1c(F)ccc(C)c1F
InChIInChI=1S/C12H18F2N2O/c1-4-9(17-3)12(16-15)10-8(13)6-5-7(2)11(10)14/h5-6,9,12,16H,4,15H2,1-3H3
InChIKeyCMNHNKGWGCHGOB-UHFFFAOYSA-N
XLogP2.20
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.20
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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Related Compounds

[1-(3,4-dimethylphenyl)-2-methoxybutyl]hydrazine
CID 105270775
1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethylbutan-1-amine
CID 116717024
[2-methoxy-1-(5-methylthiophen-2-yl)butyl]hydrazine
CID 105270643
[1-(2,6-difluoro-3-methylphenyl)-2-methoxy-2-methylpropyl]hydrazine
CID 105245299
1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 116720133
[2-methoxy-1-(2-methylthiophen-3-yl)butyl]hydrazine
CID 102843058
1-(2,6-difluoro-3-methylphenyl)hexylhydrazine
CID 105294572
1-(2-fluoro-5-methylphenyl)-2-methoxy-N-methylbutan-1-amine
CID 116715348
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-N-methylbutan-1-amine
CID 106881987
[1-(2,6-difluoro-3-methylphenyl)-3-ethylheptyl]hydrazine
CID 105288270
1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 116757600
1-(2,6-difluoro-3-methylphenyl)-N,2-diethylhexan-1-amine
CID 105027083

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-difluoro-3-methylphenyl)-2-methoxybutyl]hydrazine?
The IUPAC name of [1-(2,6-difluoro-3-methylphenyl)-2-methoxybutyl]hydrazine (CID 105270622) is [1-(2,6-difluoro-3-methylphenyl)-2-methoxybutyl]hydrazine.
What is the SMILES notation for [1-(2,6-difluoro-3-methylphenyl)-2-methoxybutyl]hydrazine?
The canonical SMILES for [1-(2,6-difluoro-3-methylphenyl)-2-methoxybutyl]hydrazine is CCC(OC)C(NN)c1c(F)ccc(C)c1F.
What is the InChIKey of [1-(2,6-difluoro-3-methylphenyl)-2-methoxybutyl]hydrazine?
The InChIKey is CMNHNKGWGCHGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-4-9(17-3)12(16-15)10-8(13)6-5-7(2)11(10)14/h5-6,9,12,16H,4,15H2,1-3H3.
What are the key properties of [1-(2,6-difluoro-3-methylphenyl)-2-methoxybutyl]hydrazine?
[1-(2,6-difluoro-3-methylphenyl)-2-methoxybutyl]hydrazine has a molecular weight of 244.28 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-difluoro-3-methylphenyl)-2-methoxybutyl]hydrazine is sourced from PubChem (CID 105270622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).