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

C13H20F2N2O — CID 103026429

IUPAC[1-(3,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine
SMILESCOC(C)(C)CCC(NN)c1ccc(F)c(F)c1
InChIInChI=1S/C13H20F2N2O/c1-13(2,18-3)7-6-12(17-16)9-4-5-10(14)11(15)8-9/h4-5,8,12,17H,6-7,16H2,1-3H3
InChIKeyBYKNNVQCFKYOEC-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.67
Rot. Bonds6

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

[1-(3,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine (PubChem CID 103026429) has the molecular formula C13H20F2N2O and a molecular weight of 258.31 g/mol. Its IUPAC name is [1-(3,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine
PubChem CID103026429
Molecular FormulaC13H20F2N2O
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name[1-(3,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine
SMILESCOC(C)(C)CCC(NN)c1ccc(F)c(F)c1
InChIInChI=1S/C13H20F2N2O/c1-13(2,18-3)7-6-12(17-16)9-4-5-10(14)11(15)8-9/h4-5,8,12,17H,6-7,16H2,1-3H3
InChIKeyBYKNNVQCFKYOEC-UHFFFAOYSA-N
XLogP2.67
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.67
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'}

Analyze [1-(3,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine with MolForge

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

Launch Full Analysis

Related Compounds

[1-(3,4-difluorophenyl)-4,4-dimethylpentyl]hydrazine
CID 105197132
[1-(3,4-dimethylphenyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026337
[1-(3,4-dichlorophenyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026283
[1-(2,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026559
[1-(3,4-difluorophenyl)-2-methoxyethyl]hydrazine
CID 105197185
[1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methylbutyl]hydrazine
CID 107130939
(4-methoxy-4-methyl-1-quinoxalin-6-ylpentyl)hydrazine
CID 103026296
[1-(2,6-dimethyl-4-pyridinyl)-4-methoxy-4-methylpentyl]hydrazine
CID 107504862
[1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026629
[1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentyl]hydrazine
CID 105218176
[1-(3,4-difluorophenyl)-3-methylhexyl]hydrazine
CID 105197095
1-(4-chloro-2-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103031675

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine?
The IUPAC name of [1-(3,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine (CID 103026429) is [1-(3,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine.
What is the SMILES notation for [1-(3,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine?
The canonical SMILES for [1-(3,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine is COC(C)(C)CCC(NN)c1ccc(F)c(F)c1.
What is the InChIKey of [1-(3,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine?
The InChIKey is BYKNNVQCFKYOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O/c1-13(2,18-3)7-6-12(17-16)9-4-5-10(14)11(15)8-9/h4-5,8,12,17H,6-7,16H2,1-3H3.
What are the key properties of [1-(3,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine?
[1-(3,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine has a molecular weight of 258.31 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine is sourced from PubChem (CID 103026429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).