[2,2-diethoxy-1-(3-fluorophenyl)ethyl]hydrazine

C12H19FN2O2 — CID 105246396

IUPAC[2,2-diethoxy-1-(3-fluorophenyl)ethyl]hydrazine
SMILESCCOC(OCC)C(NN)c1cccc(F)c1
InChIInChI=1S/C12H19FN2O2/c1-3-16-12(17-4-2)11(15-14)9-6-5-7-10(13)8-9/h5-8,11-12,15H,3-4,14H2,1-2H3
InChIKeyAMZRRNSYWQNKFE-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.73
Rot. Bonds7

About [2,2-diethoxy-1-(3-fluorophenyl)ethyl]hydrazine

[2,2-diethoxy-1-(3-fluorophenyl)ethyl]hydrazine (PubChem CID 105246396) has the molecular formula C12H19FN2O2 and a molecular weight of 242.29 g/mol. Its IUPAC name is [2,2-diethoxy-1-(3-fluorophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2,2-diethoxy-1-(3-fluorophenyl)ethyl]hydrazine
PubChem CID105246396
Molecular FormulaC12H19FN2O2
Molecular Weight242.29 g/mol
Exact Mass242.14
IUPAC Name[2,2-diethoxy-1-(3-fluorophenyl)ethyl]hydrazine
SMILESCCOC(OCC)C(NN)c1cccc(F)c1
InChIInChI=1S/C12H19FN2O2/c1-3-16-12(17-4-2)11(15-14)9-6-5-7-10(13)8-9/h5-8,11-12,15H,3-4,14H2,1-2H3
InChIKeyAMZRRNSYWQNKFE-UHFFFAOYSA-N
XLogP1.73
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-diethoxy-1-(3-fluorophenyl)-N-methylethanamine
CID 79496374
(2,2-diethoxy-1-phenylethyl)hydrazine
CID 10823027
[2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)ethyl]hydrazine
CID 105278882
[1-(3-fluorophenyl)-2,3-dimethylbutyl]hydrazine
CID 105285597
[(2-ethoxyphenyl)-(3-fluorophenyl)methyl]hydrazine
CID 105192906
[1-(3,4-difluorophenyl)-2-ethoxy-2-phenylethyl]hydrazine
CID 105279283
[1-ethoxy-3-(3-fluorophenyl)-1-phenylpropan-2-yl]hydrazine
CID 105279229
2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)-N-methylethanamine
CID 116772276
N-ethyl-2,2-difluoro-1-(3-fluorophenyl)ethanamine
CID 80605462
[(1-ethoxycyclohexyl)-(3-fluorophenyl)methyl]hydrazine
CID 105276324
2-ethoxy-2-(3-fluorophenyl)acetic acid
CID 68560749
3,3-diethoxy-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 81365209

Frequently Asked Questions

What is the IUPAC name of [2,2-diethoxy-1-(3-fluorophenyl)ethyl]hydrazine?
The IUPAC name of [2,2-diethoxy-1-(3-fluorophenyl)ethyl]hydrazine (CID 105246396) is [2,2-diethoxy-1-(3-fluorophenyl)ethyl]hydrazine.
What is the SMILES notation for [2,2-diethoxy-1-(3-fluorophenyl)ethyl]hydrazine?
The canonical SMILES for [2,2-diethoxy-1-(3-fluorophenyl)ethyl]hydrazine is CCOC(OCC)C(NN)c1cccc(F)c1.
What is the InChIKey of [2,2-diethoxy-1-(3-fluorophenyl)ethyl]hydrazine?
The InChIKey is AMZRRNSYWQNKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2/c1-3-16-12(17-4-2)11(15-14)9-6-5-7-10(13)8-9/h5-8,11-12,15H,3-4,14H2,1-2H3.
What are the key properties of [2,2-diethoxy-1-(3-fluorophenyl)ethyl]hydrazine?
[2,2-diethoxy-1-(3-fluorophenyl)ethyl]hydrazine has a molecular weight of 242.29 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-diethoxy-1-(3-fluorophenyl)ethyl]hydrazine is sourced from PubChem (CID 105246396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).