[1,4-dioxan-2-yl-(3-fluorophenyl)methyl]hydrazine

C11H15FN2O2 — CID 105285493

IUPAC[1,4-dioxan-2-yl-(3-fluorophenyl)methyl]hydrazine
SMILESNNC(c1cccc(F)c1)C1COCCO1
InChIInChI=1S/C11H15FN2O2/c12-9-3-1-2-8(6-9)11(14-13)10-7-15-4-5-16-10/h1-3,6,10-11,14H,4-5,7,13H2
InChIKeyXNNHAKLEEPIOSR-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.75
Rot. Bonds3

About [1,4-dioxan-2-yl-(3-fluorophenyl)methyl]hydrazine

[1,4-dioxan-2-yl-(3-fluorophenyl)methyl]hydrazine (PubChem CID 105285493) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is [1,4-dioxan-2-yl-(3-fluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[1,4-dioxan-2-yl-(3-fluorophenyl)methyl]hydrazine
PubChem CID105285493
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name[1,4-dioxan-2-yl-(3-fluorophenyl)methyl]hydrazine
SMILESNNC(c1cccc(F)c1)C1COCCO1
InChIInChI=1S/C11H15FN2O2/c12-9-3-1-2-8(6-9)11(14-13)10-7-15-4-5-16-10/h1-3,6,10-11,14H,4-5,7,13H2
InChIKeyXNNHAKLEEPIOSR-UHFFFAOYSA-N
XLogP0.75
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1,4-dioxan-2-yl-(3-fluorophenyl)methanamine
CID 65351089
[1,4-dioxan-2-yl-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105302410
[1,4-dioxan-2-yl(furan-2-yl)methyl]hydrazine
CID 105305979
[1-(3-fluorophenyl)-2-(oxolan-3-yl)ethyl]hydrazine
CID 105266099
[1,4-dioxan-2-yl(naphthalen-1-yl)methyl]hydrazine
CID 105301200
[1,4-dioxan-2-yl-(4-propylphenyl)methyl]hydrazine
CID 105303764
[2,3-dihydro-1H-inden-2-yl-(3-fluorophenyl)methyl]hydrazine
CID 105234197
1-(3-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 65328286
1-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 55120045
1-(1,4-dioxan-2-yl)-2-(3-fluorophenyl)ethanol
CID 65351287
N-[1,4-dioxan-2-yl-(3-methylphenyl)methyl]propan-1-amine
CID 65352691
1-(3-fluorophenyl)-N-methyl-1-(3-methyloxan-4-yl)methanamine
CID 114241898

Frequently Asked Questions

What is the IUPAC name of [1,4-dioxan-2-yl-(3-fluorophenyl)methyl]hydrazine?
The IUPAC name of [1,4-dioxan-2-yl-(3-fluorophenyl)methyl]hydrazine (CID 105285493) is [1,4-dioxan-2-yl-(3-fluorophenyl)methyl]hydrazine.
What is the SMILES notation for [1,4-dioxan-2-yl-(3-fluorophenyl)methyl]hydrazine?
The canonical SMILES for [1,4-dioxan-2-yl-(3-fluorophenyl)methyl]hydrazine is NNC(c1cccc(F)c1)C1COCCO1.
What is the InChIKey of [1,4-dioxan-2-yl-(3-fluorophenyl)methyl]hydrazine?
The InChIKey is XNNHAKLEEPIOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c12-9-3-1-2-8(6-9)11(14-13)10-7-15-4-5-16-10/h1-3,6,10-11,14H,4-5,7,13H2.
What are the key properties of [1,4-dioxan-2-yl-(3-fluorophenyl)methyl]hydrazine?
[1,4-dioxan-2-yl-(3-fluorophenyl)methyl]hydrazine has a molecular weight of 226.25 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4-dioxan-2-yl-(3-fluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105285493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).