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

C13H18ClFN2O — CID 105264342

IUPAC[2-(3-chloro-2-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine
SMILESNNC(Cc1cccc(Cl)c1F)C1CCOCC1
InChIInChI=1S/C13H18ClFN2O/c14-11-3-1-2-10(13(11)15)8-12(17-16)9-4-6-18-7-5-9/h1-3,9,12,17H,4-8,16H2
InChIKeyNCISDJAIZLWXIF-UHFFFAOYSA-N
MW272.75 g/mol
LogP2.28
Rot. Bonds4

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

[2-(3-chloro-2-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine (PubChem CID 105264342) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is [2-(3-chloro-2-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-chloro-2-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine
PubChem CID105264342
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name[2-(3-chloro-2-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine
SMILESNNC(Cc1cccc(Cl)c1F)C1CCOCC1
InChIInChI=1S/C13H18ClFN2O/c14-11-3-1-2-10(13(11)15)8-12(17-16)9-4-6-18-7-5-9/h1-3,9,12,17H,4-8,16H2
InChIKeyNCISDJAIZLWXIF-UHFFFAOYSA-N
XLogP2.28
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 52.28
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

[2-(3-chloro-2-fluorophenyl)-1-cyclopropylethyl]hydrazine
CID 105264277
[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-(3-chloro-2-fluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]hydrazine
CID 102868515
[2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethyl]hydrazine
CID 106868666
[1-(3-chloro-2-fluorophenyl)-3-cyclopropylbutan-2-yl]hydrazine
CID 102868874
2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 112653790
2-(2,3-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 65334965
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine
CID 82805685
[2-(2-chlorophenyl)-1-cyclobutylethyl]hydrazine
CID 105209625
[2-(2,3-difluorophenyl)-1-(4-ethylcyclohexyl)ethyl]hydrazine
CID 105231538
2-(2,3-dichlorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine
CID 107308697

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-2-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine?
The IUPAC name of [2-(3-chloro-2-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine (CID 105264342) is [2-(3-chloro-2-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-chloro-2-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3-chloro-2-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine is NNC(Cc1cccc(Cl)c1F)C1CCOCC1.
What is the InChIKey of [2-(3-chloro-2-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine?
The InChIKey is NCISDJAIZLWXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O/c14-11-3-1-2-10(13(11)15)8-12(17-16)9-4-6-18-7-5-9/h1-3,9,12,17H,4-8,16H2.
What are the key properties of [2-(3-chloro-2-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine?
[2-(3-chloro-2-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine has a molecular weight of 272.75 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-2-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105264342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).