[1-(2-chloro-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine

C13H20ClFN2O2 — CID 102930015

IUPAC[1-(2-chloro-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
SMILESCOCCOCCC(Cc1cc(F)ccc1Cl)NN
InChIInChI=1S/C13H20ClFN2O2/c1-18-6-7-19-5-4-12(17-16)9-10-8-11(15)2-3-13(10)14/h2-3,8,12,17H,4-7,9,16H2,1H3
InChIKeyPUXHEYJBIKIUIW-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.91
Rot. Bonds9

About [1-(2-chloro-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine

[1-(2-chloro-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine (PubChem CID 102930015) has the molecular formula C13H20ClFN2O2 and a molecular weight of 290.77 g/mol. Its IUPAC name is [1-(2-chloro-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-chloro-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
PubChem CID102930015
Molecular FormulaC13H20ClFN2O2
Molecular Weight290.77 g/mol
Exact Mass290.12
IUPAC Name[1-(2-chloro-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
SMILESCOCCOCCC(Cc1cc(F)ccc1Cl)NN
InChIInChI=1S/C13H20ClFN2O2/c1-18-6-7-19-5-4-12(17-16)9-10-8-11(15)2-3-13(10)14/h2-3,8,12,17H,4-7,9,16H2,1H3
InChIKeyPUXHEYJBIKIUIW-UHFFFAOYSA-N
XLogP1.91
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(4-chloro-2-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
CID 102929991
[1-(3,4-dichlorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
CID 102929753
[1-(2-chloro-5-fluorophenyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 102623265
1-(2,5-dichlorophenyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine
CID 102928141
[1-(5-chloro-2-fluorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 103053532
[1-(5-fluoro-2-methylphenyl)-5-methoxypentan-2-yl]hydrazine
CID 105377808
[1-(2-chloro-5-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 102623584
[1-(2-chlorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 105206395
[1-(2-bromo-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
CID 102929724
[1-(2-chloro-5-fluorophenyl)-3-(3-fluorophenyl)propan-2-yl]hydrazine
CID 102623264
[1-(2-chloro-5-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine
CID 102623322
1-(2-chloro-5-fluorophenyl)propan-2-ylhydrazine
CID 102623253

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine?
The IUPAC name of [1-(2-chloro-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine (CID 102930015) is [1-(2-chloro-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-chloro-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine?
The canonical SMILES for [1-(2-chloro-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine is COCCOCCC(Cc1cc(F)ccc1Cl)NN.
What is the InChIKey of [1-(2-chloro-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine?
The InChIKey is PUXHEYJBIKIUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClFN2O2/c1-18-6-7-19-5-4-12(17-16)9-10-8-11(15)2-3-13(10)14/h2-3,8,12,17H,4-7,9,16H2,1H3.
What are the key properties of [1-(2-chloro-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine?
[1-(2-chloro-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine has a molecular weight of 290.77 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine is sourced from PubChem (CID 102930015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).