[1-(2-chloro-5-fluorophenyl)-2-ethoxypentyl]hydrazine

C13H20ClFN2O — CID 105397975

IUPAC[1-(2-chloro-5-fluorophenyl)-2-ethoxypentyl]hydrazine
SMILESCCCC(OCC)C(NN)c1cc(F)ccc1Cl
InChIInChI=1S/C13H20ClFN2O/c1-3-5-12(18-4-2)13(17-16)10-8-9(15)6-7-11(10)14/h6-8,12-13,17H,3-5,16H2,1-2H3
InChIKeyVBJRNACIPYMTBD-UHFFFAOYSA-N
MW274.77 g/mol
LogP3.19
Rot. Bonds7

About [1-(2-chloro-5-fluorophenyl)-2-ethoxypentyl]hydrazine

[1-(2-chloro-5-fluorophenyl)-2-ethoxypentyl]hydrazine (PubChem CID 105397975) has the molecular formula C13H20ClFN2O and a molecular weight of 274.77 g/mol. Its IUPAC name is [1-(2-chloro-5-fluorophenyl)-2-ethoxypentyl]hydrazine.

Molecular Properties

Compound Name[1-(2-chloro-5-fluorophenyl)-2-ethoxypentyl]hydrazine
PubChem CID105397975
Molecular FormulaC13H20ClFN2O
Molecular Weight274.77 g/mol
Exact Mass274.12
IUPAC Name[1-(2-chloro-5-fluorophenyl)-2-ethoxypentyl]hydrazine
SMILESCCCC(OCC)C(NN)c1cc(F)ccc1Cl
InChIInChI=1S/C13H20ClFN2O/c1-3-5-12(18-4-2)13(17-16)10-8-9(15)6-7-11(10)14/h6-8,12-13,17H,3-5,16H2,1-2H3
InChIKeyVBJRNACIPYMTBD-UHFFFAOYSA-N
XLogP3.19
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 53.19
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

[2-ethoxy-1-(5-fluoro-2-methoxyphenyl)pentyl]hydrazine
CID 105271459
[2-ethoxy-1-(2-fluoro-5-methylphenyl)pentyl]hydrazine
CID 105271295
[1-(2-chloro-5-fluorophenyl)-2-ethylhexyl]hydrazine
CID 105398110
2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine
CID 116717728
[1-(2,4-dimethoxyphenyl)-2-ethoxypentyl]hydrazine
CID 105271557
2-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine
CID 116718011
1-(2,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine
CID 116718342
[2-ethoxy-1-(4-ethylphenyl)pentyl]hydrazine
CID 105271510
[1-(2,5-difluorophenyl)-3-ethoxyhexan-2-yl]hydrazine
CID 105271314
[2-ethoxy-1-[2-(2-methoxyethoxy)phenyl]pentyl]hydrazine
CID 105271536
1-(2-chloro-5-fluorophenyl)-2-methyl-N-propylpentan-1-amine
CID 105396931
1-(2-chloro-5-fluorophenyl)heptylhydrazine
CID 105398143

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-5-fluorophenyl)-2-ethoxypentyl]hydrazine?
The IUPAC name of [1-(2-chloro-5-fluorophenyl)-2-ethoxypentyl]hydrazine (CID 105397975) is [1-(2-chloro-5-fluorophenyl)-2-ethoxypentyl]hydrazine.
What is the SMILES notation for [1-(2-chloro-5-fluorophenyl)-2-ethoxypentyl]hydrazine?
The canonical SMILES for [1-(2-chloro-5-fluorophenyl)-2-ethoxypentyl]hydrazine is CCCC(OCC)C(NN)c1cc(F)ccc1Cl.
What is the InChIKey of [1-(2-chloro-5-fluorophenyl)-2-ethoxypentyl]hydrazine?
The InChIKey is VBJRNACIPYMTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClFN2O/c1-3-5-12(18-4-2)13(17-16)10-8-9(15)6-7-11(10)14/h6-8,12-13,17H,3-5,16H2,1-2H3.
What are the key properties of [1-(2-chloro-5-fluorophenyl)-2-ethoxypentyl]hydrazine?
[1-(2-chloro-5-fluorophenyl)-2-ethoxypentyl]hydrazine has a molecular weight of 274.77 g/mol, XLogP of 3.19, 7 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)-2-ethoxypentyl]hydrazine is sourced from PubChem (CID 105397975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).