[1-(4-chloro-2-fluorophenyl)-4-ethoxybutyl]hydrazine

C12H18ClFN2O — CID 105328383

IUPAC[1-(4-chloro-2-fluorophenyl)-4-ethoxybutyl]hydrazine
SMILESCCOCCCC(NN)c1ccc(Cl)cc1F
InChIInChI=1S/C12H18ClFN2O/c1-2-17-7-3-4-12(16-15)10-6-5-9(13)8-11(10)14/h5-6,8,12,16H,2-4,7,15H2,1H3
InChIKeyKPOOMFCHCCEZGJ-UHFFFAOYSA-N
MW260.74 g/mol
LogP2.80
Rot. Bonds7

About [1-(4-chloro-2-fluorophenyl)-4-ethoxybutyl]hydrazine

[1-(4-chloro-2-fluorophenyl)-4-ethoxybutyl]hydrazine (PubChem CID 105328383) has the molecular formula C12H18ClFN2O and a molecular weight of 260.74 g/mol. Its IUPAC name is [1-(4-chloro-2-fluorophenyl)-4-ethoxybutyl]hydrazine.

Molecular Properties

Compound Name[1-(4-chloro-2-fluorophenyl)-4-ethoxybutyl]hydrazine
PubChem CID105328383
Molecular FormulaC12H18ClFN2O
Molecular Weight260.74 g/mol
Exact Mass260.11
IUPAC Name[1-(4-chloro-2-fluorophenyl)-4-ethoxybutyl]hydrazine
SMILESCCOCCCC(NN)c1ccc(Cl)cc1F
InChIInChI=1S/C12H18ClFN2O/c1-2-17-7-3-4-12(16-15)10-6-5-9(13)8-11(10)14/h5-6,8,12,16H,2-4,7,15H2,1H3
InChIKeyKPOOMFCHCCEZGJ-UHFFFAOYSA-N
XLogP2.80
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.74
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[4-ethoxy-1-(3-fluoro-4-pyridinyl)butyl]hydrazine
CID 105335371
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-methoxybutan-1-amine
CID 78924376
3-(4-chloro-2-fluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105259286
1-(4-chloro-2-fluorophenyl)-N-ethylhexan-1-amine
CID 63417997
1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine
CID 105140924
1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-methylbutan-1-amine
CID 105140939
1-(2-fluoro-4-methylphenyl)hexylhydrazine
CID 105294599
[4-methoxy-1-(2,3,4-trifluorophenyl)butyl]hydrazine
CID 105224914
1-(2,4-dichlorophenyl)heptylhydrazine
CID 105293920
1-(2-fluoro-4-methoxyphenyl)heptylhydrazine
CID 105256947
1-(4-chloro-2-fluorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 105022589
[1-(4-chloro-2-fluorophenyl)-2-(3,4-difluorophenyl)ethyl]hydrazine
CID 105217930

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-2-fluorophenyl)-4-ethoxybutyl]hydrazine?
The IUPAC name of [1-(4-chloro-2-fluorophenyl)-4-ethoxybutyl]hydrazine (CID 105328383) is [1-(4-chloro-2-fluorophenyl)-4-ethoxybutyl]hydrazine.
What is the SMILES notation for [1-(4-chloro-2-fluorophenyl)-4-ethoxybutyl]hydrazine?
The canonical SMILES for [1-(4-chloro-2-fluorophenyl)-4-ethoxybutyl]hydrazine is CCOCCCC(NN)c1ccc(Cl)cc1F.
What is the InChIKey of [1-(4-chloro-2-fluorophenyl)-4-ethoxybutyl]hydrazine?
The InChIKey is KPOOMFCHCCEZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClFN2O/c1-2-17-7-3-4-12(16-15)10-6-5-9(13)8-11(10)14/h5-6,8,12,16H,2-4,7,15H2,1H3.
What are the key properties of [1-(4-chloro-2-fluorophenyl)-4-ethoxybutyl]hydrazine?
[1-(4-chloro-2-fluorophenyl)-4-ethoxybutyl]hydrazine has a molecular weight of 260.74 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-2-fluorophenyl)-4-ethoxybutyl]hydrazine is sourced from PubChem (CID 105328383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).