[1-(2-chloro-5-fluorophenyl)-3-methoxybutan-2-yl]hydrazine

C11H16ClFN2O — CID 102623380

IUPAC[1-(2-chloro-5-fluorophenyl)-3-methoxybutan-2-yl]hydrazine
SMILESCOC(C)C(Cc1cc(F)ccc1Cl)NN
InChIInChI=1S/C11H16ClFN2O/c1-7(16-2)11(15-14)6-8-5-9(13)3-4-10(8)12/h3-5,7,11,15H,6,14H2,1-2H3
InChIKeyCOFYXFHVASLMLH-UHFFFAOYSA-N
MW246.71 g/mol
LogP1.89
Rot. Bonds5

About [1-(2-chloro-5-fluorophenyl)-3-methoxybutan-2-yl]hydrazine

[1-(2-chloro-5-fluorophenyl)-3-methoxybutan-2-yl]hydrazine (PubChem CID 102623380) has the molecular formula C11H16ClFN2O and a molecular weight of 246.71 g/mol. Its IUPAC name is [1-(2-chloro-5-fluorophenyl)-3-methoxybutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-chloro-5-fluorophenyl)-3-methoxybutan-2-yl]hydrazine
PubChem CID102623380
Molecular FormulaC11H16ClFN2O
Molecular Weight246.71 g/mol
Exact Mass246.09
IUPAC Name[1-(2-chloro-5-fluorophenyl)-3-methoxybutan-2-yl]hydrazine
SMILESCOC(C)C(Cc1cc(F)ccc1Cl)NN
InChIInChI=1S/C11H16ClFN2O/c1-7(16-2)11(15-14)6-8-5-9(13)3-4-10(8)12/h3-5,7,11,15H,6,14H2,1-2H3
InChIKeyCOFYXFHVASLMLH-UHFFFAOYSA-N
XLogP1.89
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.71
LogP ≤ 51.89
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-(2-chloro-5-fluorophenyl)-3-methoxybutan-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-(2,5-dichlorophenyl)-3-methoxybutan-2-yl]hydrazine
CID 105247088
1-(2-chloro-5-fluorophenyl)propan-2-ylhydrazine
CID 102623253
[1-(5-chloro-2-methoxyphenyl)-3-methoxybutan-2-yl]hydrazine
CID 105246987
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 102619350
[1-(2-chloro-5-fluorophenyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 102623265
[1-(3,5-difluorophenyl)-3-methoxybutan-2-yl]hydrazine
CID 105412950
[1-(2-chloro-5-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 102623584
[1-(2-chloro-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
CID 102930015
[1-(2,5-dichlorophenyl)-3-methoxypentan-2-yl]hydrazine
CID 105270834
[1-(2-chloro-5-fluorophenyl)-3-(3-fluorophenyl)propan-2-yl]hydrazine
CID 102623264
[2-(2-chloro-5-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethyl]hydrazine
CID 102623414
3-[(2-chloro-5-fluorophenyl)methyl]-4-methylpentan-2-amine
CID 102616760

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-5-fluorophenyl)-3-methoxybutan-2-yl]hydrazine?
The IUPAC name of [1-(2-chloro-5-fluorophenyl)-3-methoxybutan-2-yl]hydrazine (CID 102623380) is [1-(2-chloro-5-fluorophenyl)-3-methoxybutan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-chloro-5-fluorophenyl)-3-methoxybutan-2-yl]hydrazine?
The canonical SMILES for [1-(2-chloro-5-fluorophenyl)-3-methoxybutan-2-yl]hydrazine is COC(C)C(Cc1cc(F)ccc1Cl)NN.
What is the InChIKey of [1-(2-chloro-5-fluorophenyl)-3-methoxybutan-2-yl]hydrazine?
The InChIKey is COFYXFHVASLMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2O/c1-7(16-2)11(15-14)6-8-5-9(13)3-4-10(8)12/h3-5,7,11,15H,6,14H2,1-2H3.
What are the key properties of [1-(2-chloro-5-fluorophenyl)-3-methoxybutan-2-yl]hydrazine?
[1-(2-chloro-5-fluorophenyl)-3-methoxybutan-2-yl]hydrazine has a molecular weight of 246.71 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-5-fluorophenyl)-3-methoxybutan-2-yl]hydrazine is sourced from PubChem (CID 102623380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).