[1-(3,4-difluorophenyl)-5-methoxyhexan-2-yl]hydrazine

C13H20F2N2O — CID 105330394

IUPAC[1-(3,4-difluorophenyl)-5-methoxyhexan-2-yl]hydrazine
SMILESCOC(C)CCC(Cc1ccc(F)c(F)c1)NN
InChIInChI=1S/C13H20F2N2O/c1-9(18-2)3-5-11(17-16)7-10-4-6-12(14)13(15)8-10/h4,6,8-9,11,17H,3,5,7,16H2,1-2H3
InChIKeyZTOJKMRACXMRMF-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.15
Rot. Bonds7

About [1-(3,4-difluorophenyl)-5-methoxyhexan-2-yl]hydrazine

[1-(3,4-difluorophenyl)-5-methoxyhexan-2-yl]hydrazine (PubChem CID 105330394) has the molecular formula C13H20F2N2O and a molecular weight of 258.31 g/mol. Its IUPAC name is [1-(3,4-difluorophenyl)-5-methoxyhexan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-difluorophenyl)-5-methoxyhexan-2-yl]hydrazine
PubChem CID105330394
Molecular FormulaC13H20F2N2O
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name[1-(3,4-difluorophenyl)-5-methoxyhexan-2-yl]hydrazine
SMILESCOC(C)CCC(Cc1ccc(F)c(F)c1)NN
InChIInChI=1S/C13H20F2N2O/c1-9(18-2)3-5-11(17-16)7-10-4-6-12(14)13(15)8-10/h4,6,8-9,11,17H,3,5,7,16H2,1-2H3
InChIKeyZTOJKMRACXMRMF-UHFFFAOYSA-N
XLogP2.15
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
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'}

Analyze [1-(3,4-difluorophenyl)-5-methoxyhexan-2-yl]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-methoxybutan-2-yl]hydrazine
CID 105206458
[1-(3,4-difluorophenyl)-4-methylsulfanylbutan-2-yl]hydrazine
CID 105330380
1-(3,4-difluorophenyl)heptan-2-ylhydrazine
CID 105294767
1-(3,4-difluorophenyl)octan-2-ylhydrazine
CID 105294121
[1-(3,4-difluorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105310411
[1-(2-chloro-4-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine
CID 105295227
[1-(2-chloro-6-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine
CID 105289068
[1-(3,4-difluorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-yl]hydrazine
CID 105296513
[1-(3,4-difluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105312820
[1-(3,4-difluorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105219724
[1-(4-chlorophenoxy)-3-(3,4-difluorophenyl)propan-2-yl]hydrazine
CID 105330358
[1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105224905

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-difluorophenyl)-5-methoxyhexan-2-yl]hydrazine?
The IUPAC name of [1-(3,4-difluorophenyl)-5-methoxyhexan-2-yl]hydrazine (CID 105330394) is [1-(3,4-difluorophenyl)-5-methoxyhexan-2-yl]hydrazine.
What is the SMILES notation for [1-(3,4-difluorophenyl)-5-methoxyhexan-2-yl]hydrazine?
The canonical SMILES for [1-(3,4-difluorophenyl)-5-methoxyhexan-2-yl]hydrazine is COC(C)CCC(Cc1ccc(F)c(F)c1)NN.
What is the InChIKey of [1-(3,4-difluorophenyl)-5-methoxyhexan-2-yl]hydrazine?
The InChIKey is ZTOJKMRACXMRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O/c1-9(18-2)3-5-11(17-16)7-10-4-6-12(14)13(15)8-10/h4,6,8-9,11,17H,3,5,7,16H2,1-2H3.
What are the key properties of [1-(3,4-difluorophenyl)-5-methoxyhexan-2-yl]hydrazine?
[1-(3,4-difluorophenyl)-5-methoxyhexan-2-yl]hydrazine has a molecular weight of 258.31 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-difluorophenyl)-5-methoxyhexan-2-yl]hydrazine is sourced from PubChem (CID 105330394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).