[1-(2,4-difluorophenyl)-2-methoxy-3-methylbutyl]hydrazine

C12H18F2N2O — CID 105272113

IUPAC[1-(2,4-difluorophenyl)-2-methoxy-3-methylbutyl]hydrazine
SMILESCOC(C(C)C)C(NN)c1ccc(F)cc1F
InChIInChI=1S/C12H18F2N2O/c1-7(2)12(17-3)11(16-15)9-5-4-8(13)6-10(9)14/h4-7,11-12,16H,15H2,1-3H3
InChIKeySSVBKPVZJGBQQK-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.14
Rot. Bonds5

About [1-(2,4-difluorophenyl)-2-methoxy-3-methylbutyl]hydrazine

[1-(2,4-difluorophenyl)-2-methoxy-3-methylbutyl]hydrazine (PubChem CID 105272113) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is [1-(2,4-difluorophenyl)-2-methoxy-3-methylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(2,4-difluorophenyl)-2-methoxy-3-methylbutyl]hydrazine
PubChem CID105272113
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name[1-(2,4-difluorophenyl)-2-methoxy-3-methylbutyl]hydrazine
SMILESCOC(C(C)C)C(NN)c1ccc(F)cc1F
InChIInChI=1S/C12H18F2N2O/c1-7(2)12(17-3)11(16-15)9-5-4-8(13)6-10(9)14/h4-7,11-12,16H,15H2,1-3H3
InChIKeySSVBKPVZJGBQQK-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
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-(2-chlorophenyl)-2-methoxy-3-methylbutyl]hydrazine
CID 105271941
[2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)propyl]hydrazine
CID 105303167
[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-3-methylbutyl]hydrazine
CID 107292433
[1-(2-bromo-4-fluorophenyl)-2-methylpropyl]hydrazine
CID 105281686
[1-(2,5-difluorophenyl)-2,3-dimethylbutyl]hydrazine
CID 105303401
1-(2,4-difluorophenyl)-2,2-dimethoxyethanamine
CID 79492526
[2-cyclopropyl-1-(2,4-difluorophenyl)-2-ethoxyethyl]hydrazine
CID 105273134
2,4-difluoro-1-[(2R)-3-methylbutan-2-yl]benzene
CID 121459140
1-(2,5-difluorophenyl)-2-methoxy-3-methylbutan-1-ol
CID 116711989
2-(2,4-difluorophenyl)-2-methoxyethanamine
CID 53276228
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
[(2,4-difluorophenyl)-(3-methoxy-4-pyridinyl)methyl]hydrazine
CID 105303259

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-difluorophenyl)-2-methoxy-3-methylbutyl]hydrazine?
The IUPAC name of [1-(2,4-difluorophenyl)-2-methoxy-3-methylbutyl]hydrazine (CID 105272113) is [1-(2,4-difluorophenyl)-2-methoxy-3-methylbutyl]hydrazine.
What is the SMILES notation for [1-(2,4-difluorophenyl)-2-methoxy-3-methylbutyl]hydrazine?
The canonical SMILES for [1-(2,4-difluorophenyl)-2-methoxy-3-methylbutyl]hydrazine is COC(C(C)C)C(NN)c1ccc(F)cc1F.
What is the InChIKey of [1-(2,4-difluorophenyl)-2-methoxy-3-methylbutyl]hydrazine?
The InChIKey is SSVBKPVZJGBQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-7(2)12(17-3)11(16-15)9-5-4-8(13)6-10(9)14/h4-7,11-12,16H,15H2,1-3H3.
What are the key properties of [1-(2,4-difluorophenyl)-2-methoxy-3-methylbutyl]hydrazine?
[1-(2,4-difluorophenyl)-2-methoxy-3-methylbutyl]hydrazine has a molecular weight of 244.28 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-difluorophenyl)-2-methoxy-3-methylbutyl]hydrazine is sourced from PubChem (CID 105272113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).