[4-methoxy-1-(2,3,4-trifluorophenyl)butyl]hydrazine

C11H15F3N2O — CID 105224914

IUPAC[4-methoxy-1-(2,3,4-trifluorophenyl)butyl]hydrazine
SMILESCOCCCC(NN)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H15F3N2O/c1-17-6-2-3-9(16-15)7-4-5-8(12)11(14)10(7)13/h4-5,9,16H,2-3,6,15H2,1H3
InChIKeyWXRVXCNYZJJIPT-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.03
Rot. Bonds6

About [4-methoxy-1-(2,3,4-trifluorophenyl)butyl]hydrazine

[4-methoxy-1-(2,3,4-trifluorophenyl)butyl]hydrazine (PubChem CID 105224914) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is [4-methoxy-1-(2,3,4-trifluorophenyl)butyl]hydrazine.

Molecular Properties

Compound Name[4-methoxy-1-(2,3,4-trifluorophenyl)butyl]hydrazine
PubChem CID105224914
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name[4-methoxy-1-(2,3,4-trifluorophenyl)butyl]hydrazine
SMILESCOCCCC(NN)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H15F3N2O/c1-17-6-2-3-9(16-15)7-4-5-8(12)11(14)10(7)13/h4-5,9,16H,2-3,6,15H2,1H3
InChIKeyWXRVXCNYZJJIPT-UHFFFAOYSA-N
XLogP2.03
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', '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-methoxy-N-propyl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 65092172
3-hydrazinyl-N,N-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-amine
CID 105259088
N,N-diethyl-3-hydrazinyl-3-(2,3,4-trifluorophenyl)propan-1-amine
CID 105243943
[1-(2-bromo-5-fluorophenyl)-4-methoxybutyl]hydrazine
CID 105342587
[2-methylsulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine
CID 105213752
[1-(2-chlorophenyl)-4-methoxybutyl]hydrazine
CID 105211131
[1-(4-bromo-2-methoxyphenyl)-4-methoxybutyl]hydrazine
CID 105342619
[1-(2-bromo-6-fluorophenyl)-4-methoxybutyl]hydrazine
CID 105280471
1-(2,3-difluorophenyl)pentylhydrazine
CID 105245668
[1-(2-fluoro-4-methoxyphenyl)-3-methoxypropyl]hydrazine
CID 103397541
[3-pyridin-2-yl-1-(2,3,4-trifluorophenyl)propyl]hydrazine
CID 105305710
[1-(4-chloro-2-fluorophenyl)-4-ethoxybutyl]hydrazine
CID 105328383

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-(2,3,4-trifluorophenyl)butyl]hydrazine?
The IUPAC name of [4-methoxy-1-(2,3,4-trifluorophenyl)butyl]hydrazine (CID 105224914) is [4-methoxy-1-(2,3,4-trifluorophenyl)butyl]hydrazine.
What is the SMILES notation for [4-methoxy-1-(2,3,4-trifluorophenyl)butyl]hydrazine?
The canonical SMILES for [4-methoxy-1-(2,3,4-trifluorophenyl)butyl]hydrazine is COCCCC(NN)c1ccc(F)c(F)c1F.
What is the InChIKey of [4-methoxy-1-(2,3,4-trifluorophenyl)butyl]hydrazine?
The InChIKey is WXRVXCNYZJJIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-17-6-2-3-9(16-15)7-4-5-8(12)11(14)10(7)13/h4-5,9,16H,2-3,6,15H2,1H3.
What are the key properties of [4-methoxy-1-(2,3,4-trifluorophenyl)butyl]hydrazine?
[4-methoxy-1-(2,3,4-trifluorophenyl)butyl]hydrazine has a molecular weight of 248.25 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-(2,3,4-trifluorophenyl)butyl]hydrazine is sourced from PubChem (CID 105224914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).