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

C12H16ClFN2O2 — CID 102868515

IUPAC[2-(3-chloro-2-fluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]hydrazine
SMILESNNC(Cc1cccc(Cl)c1F)C1COCCO1
InChIInChI=1S/C12H16ClFN2O2/c13-9-3-1-2-8(12(9)14)6-10(16-15)11-7-17-4-5-18-11/h1-3,10-11,16H,4-7,15H2
InChIKeyUXKYWJAOEMBWNG-UHFFFAOYSA-N
MW274.72 g/mol
LogP1.27
Rot. Bonds4

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

[2-(3-chloro-2-fluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]hydrazine (PubChem CID 102868515) has the molecular formula C12H16ClFN2O2 and a molecular weight of 274.72 g/mol. Its IUPAC name is [2-(3-chloro-2-fluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-chloro-2-fluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]hydrazine
PubChem CID102868515
Molecular FormulaC12H16ClFN2O2
Molecular Weight274.72 g/mol
Exact Mass274.09
IUPAC Name[2-(3-chloro-2-fluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]hydrazine
SMILESNNC(Cc1cccc(Cl)c1F)C1COCCO1
InChIInChI=1S/C12H16ClFN2O2/c13-9-3-1-2-8(12(9)14)6-10(16-15)11-7-17-4-5-18-11/h1-3,10-11,16H,4-7,15H2
InChIKeyUXKYWJAOEMBWNG-UHFFFAOYSA-N
XLogP1.27
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 51.27
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

[2-(2,3-dichlorophenyl)-1-(1,4-dioxan-2-yl)ethyl]hydrazine
CID 107312987
[2-(3-chloro-2-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105264342
[2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethyl]hydrazine
CID 102867978
[2-(3-chloro-2-fluorophenyl)-1-cyclopropylethyl]hydrazine
CID 105264277
[2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine
CID 102868102
[2-(3-chloro-2-fluorophenyl)-1-cycloheptylethyl]hydrazine
CID 105264361
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 82806276
2-(2,3-dichlorophenyl)-1-(1,4-dioxan-2-yl)ethanamine
CID 107312027
[2-(5-bromothiophen-2-yl)-1-(1,4-dioxan-2-yl)ethyl]hydrazine
CID 105295651
[2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]hydrazine
CID 102868730
N-[2-(3-chloro-2-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 102866337
2-(2-bromo-3-fluorophenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine
CID 114287335

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-2-fluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(3-chloro-2-fluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]hydrazine (CID 102868515) is [2-(3-chloro-2-fluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-chloro-2-fluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3-chloro-2-fluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]hydrazine is NNC(Cc1cccc(Cl)c1F)C1COCCO1.
What is the InChIKey of [2-(3-chloro-2-fluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]hydrazine?
The InChIKey is UXKYWJAOEMBWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2/c13-9-3-1-2-8(12(9)14)6-10(16-15)11-7-17-4-5-18-11/h1-3,10-11,16H,4-7,15H2.
What are the key properties of [2-(3-chloro-2-fluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]hydrazine?
[2-(3-chloro-2-fluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]hydrazine has a molecular weight of 274.72 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-2-fluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]hydrazine is sourced from PubChem (CID 102868515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).