[2-(5-bromo-2-fluorophenyl)-1-(oxan-3-yl)ethyl]hydrazine

C13H18BrFN2O — CID 105229943

IUPAC[2-(5-bromo-2-fluorophenyl)-1-(oxan-3-yl)ethyl]hydrazine
SMILESNNC(Cc1cc(Br)ccc1F)C1CCCOC1
InChIInChI=1S/C13H18BrFN2O/c14-11-3-4-12(15)10(6-11)7-13(17-16)9-2-1-5-18-8-9/h3-4,6,9,13,17H,1-2,5,7-8,16H2
InChIKeyRPWZZKNEDPUZRH-UHFFFAOYSA-N
MW317.20 g/mol
LogP2.39
Rot. Bonds4

About [2-(5-bromo-2-fluorophenyl)-1-(oxan-3-yl)ethyl]hydrazine

[2-(5-bromo-2-fluorophenyl)-1-(oxan-3-yl)ethyl]hydrazine (PubChem CID 105229943) has the molecular formula C13H18BrFN2O and a molecular weight of 317.20 g/mol. Its IUPAC name is [2-(5-bromo-2-fluorophenyl)-1-(oxan-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(5-bromo-2-fluorophenyl)-1-(oxan-3-yl)ethyl]hydrazine
PubChem CID105229943
Molecular FormulaC13H18BrFN2O
Molecular Weight317.20 g/mol
Exact Mass316.06
IUPAC Name[2-(5-bromo-2-fluorophenyl)-1-(oxan-3-yl)ethyl]hydrazine
SMILESNNC(Cc1cc(Br)ccc1F)C1CCCOC1
InChIInChI=1S/C13H18BrFN2O/c14-11-3-4-12(15)10(6-11)7-13(17-16)9-2-1-5-18-8-9/h3-4,6,9,13,17H,1-2,5,7-8,16H2
InChIKeyRPWZZKNEDPUZRH-UHFFFAOYSA-N
XLogP2.39
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 52.39
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-(2-bromo-5-fluorophenyl)-1-(oxan-3-yl)ethyl]hydrazine
CID 105230037
[2-(5-bromo-2-fluorophenyl)-1-(3,3-difluorocyclohexyl)ethyl]hydrazine
CID 114216932
[2-(5-bromo-2-fluorophenyl)-1-(3-methylcyclopentyl)ethyl]hydrazine
CID 105233180
[2-(5-bromo-2-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
CID 105258878
[2-(2,6-dimethylphenyl)-1-(oxan-3-yl)ethyl]hydrazine
CID 105229996
2-(5-bromo-2-fluorophenyl)-1-cyclohexylethanamine
CID 55095635
[2-(2,4-dichlorophenyl)-1-(oxolan-3-yl)ethyl]hydrazine
CID 105200094
N-[2-(5-bromo-2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
CID 65333922
[(5-bromo-2-methylphenyl)-(oxan-3-yl)methyl]hydrazine
CID 107139910
2-(5-bromo-2-fluorophenyl)-1-cyclopropyl-N-ethylethanamine
CID 62600408
[(2,5-dibromophenyl)-(oxan-3-yl)methyl]hydrazine
CID 107139773
[(5-chloro-2-fluorophenyl)-(oxan-3-yl)methyl]hydrazine
CID 107139728

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-2-fluorophenyl)-1-(oxan-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(5-bromo-2-fluorophenyl)-1-(oxan-3-yl)ethyl]hydrazine (CID 105229943) is [2-(5-bromo-2-fluorophenyl)-1-(oxan-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(5-bromo-2-fluorophenyl)-1-(oxan-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(5-bromo-2-fluorophenyl)-1-(oxan-3-yl)ethyl]hydrazine is NNC(Cc1cc(Br)ccc1F)C1CCCOC1.
What is the InChIKey of [2-(5-bromo-2-fluorophenyl)-1-(oxan-3-yl)ethyl]hydrazine?
The InChIKey is RPWZZKNEDPUZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O/c14-11-3-4-12(15)10(6-11)7-13(17-16)9-2-1-5-18-8-9/h3-4,6,9,13,17H,1-2,5,7-8,16H2.
What are the key properties of [2-(5-bromo-2-fluorophenyl)-1-(oxan-3-yl)ethyl]hydrazine?
[2-(5-bromo-2-fluorophenyl)-1-(oxan-3-yl)ethyl]hydrazine has a molecular weight of 317.20 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-2-fluorophenyl)-1-(oxan-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105229943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).