[1-(2,5-difluorophenyl)-3-ethoxypentan-2-yl]hydrazine

C13H20F2N2O — CID 105270973

IUPAC[1-(2,5-difluorophenyl)-3-ethoxypentan-2-yl]hydrazine
SMILESCCOC(CC)C(Cc1cc(F)ccc1F)NN
InChIInChI=1S/C13H20F2N2O/c1-3-13(18-4-2)12(17-16)8-9-7-10(14)5-6-11(9)15/h5-7,12-13,17H,3-4,8,16H2,1-2H3
InChIKeyWVMGIFVYCVOOJU-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.15
Rot. Bonds7

About [1-(2,5-difluorophenyl)-3-ethoxypentan-2-yl]hydrazine

[1-(2,5-difluorophenyl)-3-ethoxypentan-2-yl]hydrazine (PubChem CID 105270973) has the molecular formula C13H20F2N2O and a molecular weight of 258.31 g/mol. Its IUPAC name is [1-(2,5-difluorophenyl)-3-ethoxypentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2,5-difluorophenyl)-3-ethoxypentan-2-yl]hydrazine
PubChem CID105270973
Molecular FormulaC13H20F2N2O
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name[1-(2,5-difluorophenyl)-3-ethoxypentan-2-yl]hydrazine
SMILESCCOC(CC)C(Cc1cc(F)ccc1F)NN
InChIInChI=1S/C13H20F2N2O/c1-3-13(18-4-2)12(17-16)8-9-7-10(14)5-6-11(9)15/h5-7,12-13,17H,3-4,8,16H2,1-2H3
InChIKeyWVMGIFVYCVOOJU-UHFFFAOYSA-N
XLogP2.15
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.15
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

[1-(2,5-difluorophenyl)-3-ethoxyhexan-2-yl]hydrazine
CID 105271314
1-(2,5-difluorophenyl)-3-ethoxy-N-ethylpentan-2-amine
CID 116716823
3-(2,5-difluorophenyl)-1,1-diethoxypropan-2-amine
CID 79495766
[3-ethoxy-1-(2-methoxy-5-methylphenyl)pentan-2-yl]hydrazine
CID 105271132
[1-(2-chlorophenyl)-3-ethoxypentan-2-yl]hydrazine
CID 105271076
[1-(2-bromo-4-fluorophenyl)-3-methoxypentan-2-yl]hydrazine
CID 105270647
3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-propylpentan-2-amine
CID 114348350
[1-(3-chlorophenyl)-3-ethoxypentan-2-yl]hydrazine
CID 105271215
1-(2,5-difluorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine
CID 116721623
1-(2,5-difluorophenyl)pentan-2-ylhydrazine
CID 105202060
3-ethoxy-1-(5-fluoro-2-methylphenyl)pentan-2-amine
CID 105374355
[1-(5-bromo-2-fluorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105219642

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-difluorophenyl)-3-ethoxypentan-2-yl]hydrazine?
The IUPAC name of [1-(2,5-difluorophenyl)-3-ethoxypentan-2-yl]hydrazine (CID 105270973) is [1-(2,5-difluorophenyl)-3-ethoxypentan-2-yl]hydrazine.
What is the SMILES notation for [1-(2,5-difluorophenyl)-3-ethoxypentan-2-yl]hydrazine?
The canonical SMILES for [1-(2,5-difluorophenyl)-3-ethoxypentan-2-yl]hydrazine is CCOC(CC)C(Cc1cc(F)ccc1F)NN.
What is the InChIKey of [1-(2,5-difluorophenyl)-3-ethoxypentan-2-yl]hydrazine?
The InChIKey is WVMGIFVYCVOOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O/c1-3-13(18-4-2)12(17-16)8-9-7-10(14)5-6-11(9)15/h5-7,12-13,17H,3-4,8,16H2,1-2H3.
What are the key properties of [1-(2,5-difluorophenyl)-3-ethoxypentan-2-yl]hydrazine?
[1-(2,5-difluorophenyl)-3-ethoxypentan-2-yl]hydrazine has a molecular weight of 258.31 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-difluorophenyl)-3-ethoxypentan-2-yl]hydrazine is sourced from PubChem (CID 105270973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).