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

C13H18BrFN2O — CID 105229545

IUPAC[2-(3-bromo-4-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine
SMILESNNC(Cc1ccc(F)c(Br)c1)C1CCOCC1
InChIInChI=1S/C13H18BrFN2O/c14-11-7-9(1-2-12(11)15)8-13(17-16)10-3-5-18-6-4-10/h1-2,7,10,13,17H,3-6,8,16H2
InChIKeyKYGJVNXHJOCRAX-UHFFFAOYSA-N
MW317.20 g/mol
LogP2.39
Rot. Bonds4

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

[2-(3-bromo-4-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine (PubChem CID 105229545) has the molecular formula C13H18BrFN2O and a molecular weight of 317.20 g/mol. Its IUPAC name is [2-(3-bromo-4-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromo-4-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine
PubChem CID105229545
Molecular FormulaC13H18BrFN2O
Molecular Weight317.20 g/mol
Exact Mass316.06
IUPAC Name[2-(3-bromo-4-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine
SMILESNNC(Cc1ccc(F)c(Br)c1)C1CCOCC1
InChIInChI=1S/C13H18BrFN2O/c14-11-7-9(1-2-12(11)15)8-13(17-16)10-3-5-18-6-4-10/h1-2,7,10,13,17H,3-6,8,16H2
InChIKeyKYGJVNXHJOCRAX-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

[1-(3-bromo-4-fluorophenyl)-3-cyclopropylpropan-2-yl]hydrazine
CID 105253974
[2-(3-bromo-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine
CID 105290501
[1-(3-bromo-4-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 103170422
[2-(3-bromo-4-fluorophenyl)-1-(2-methylcyclopentyl)ethyl]hydrazine
CID 107193478
2-(3-bromo-4-fluorophenyl)-1-cyclobutyl-N-methylethanamine
CID 64987034
N-(3-bromo-4-fluorophenyl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 104776290
[1-cyclohexyl-2-(3,4-difluorophenyl)ethyl]hydrazine
CID 105201895
[1-(3,4-difluorophenyl)-3-(oxan-4-yl)propan-2-yl]hydrazine
CID 105298960
2-(3-bromo-4-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine
CID 65390837
[2-(3-bromo-4-methoxyphenyl)-1-cyclopropylethyl]hydrazine
CID 105202342
[2-(4-bromothiophen-2-yl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105229739
[2-(5-fluoro-2-methylphenyl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105377822

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-4-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromo-4-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine (CID 105229545) is [2-(3-bromo-4-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromo-4-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromo-4-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine is NNC(Cc1ccc(F)c(Br)c1)C1CCOCC1.
What is the InChIKey of [2-(3-bromo-4-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine?
The InChIKey is KYGJVNXHJOCRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O/c14-11-7-9(1-2-12(11)15)8-13(17-16)10-3-5-18-6-4-10/h1-2,7,10,13,17H,3-6,8,16H2.
What are the key properties of [2-(3-bromo-4-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine?
[2-(3-bromo-4-fluorophenyl)-1-(oxan-4-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-(3-bromo-4-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105229545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).