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

C12H16BrFN2O — CID 105228977

IUPAC[2-(2-bromo-3-fluorophenyl)-1-(oxolan-2-yl)ethyl]hydrazine
SMILESNNC(Cc1cccc(F)c1Br)C1CCCO1
InChIInChI=1S/C12H16BrFN2O/c13-12-8(3-1-4-9(12)14)7-10(16-15)11-5-2-6-17-11/h1,3-4,10-11,16H,2,5-7,15H2
InChIKeyIQVXZWUMUXAECY-UHFFFAOYSA-N
MW303.17 g/mol
LogP2.14
Rot. Bonds4

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

[2-(2-bromo-3-fluorophenyl)-1-(oxolan-2-yl)ethyl]hydrazine (PubChem CID 105228977) has the molecular formula C12H16BrFN2O and a molecular weight of 303.17 g/mol. Its IUPAC name is [2-(2-bromo-3-fluorophenyl)-1-(oxolan-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-bromo-3-fluorophenyl)-1-(oxolan-2-yl)ethyl]hydrazine
PubChem CID105228977
Molecular FormulaC12H16BrFN2O
Molecular Weight303.17 g/mol
Exact Mass302.04
IUPAC Name[2-(2-bromo-3-fluorophenyl)-1-(oxolan-2-yl)ethyl]hydrazine
SMILESNNC(Cc1cccc(F)c1Br)C1CCCO1
InChIInChI=1S/C12H16BrFN2O/c13-12-8(3-1-4-9(12)14)7-10(16-15)11-5-2-6-17-11/h1,3-4,10-11,16H,2,5-7,15H2
InChIKeyIQVXZWUMUXAECY-UHFFFAOYSA-N
XLogP2.14
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 52.14
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-3-fluorophenyl)-1-cyclooctylethyl]hydrazine
CID 105255038
2-(2-bromo-3-fluorophenyl)-1-(oxan-2-yl)ethanol
CID 115826491
[2-(2-bromo-3-fluorophenyl)-1-(thian-2-yl)ethyl]hydrazine
CID 105255720
[2-(2-methylphenyl)-1-(oxan-2-yl)ethyl]hydrazine
CID 105285184
[2-(2-bromo-3-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethyl]hydrazine
CID 105234372
[2-(3,4-difluorophenyl)-1-(oxolan-2-yl)ethyl]hydrazine
CID 105229142
[2-(2-bromo-3-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethyl]hydrazine
CID 105234130
1-(2-bromo-3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 105020405
2-(2-bromo-3-fluorophenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine
CID 114287335
[2-(2-bromo-3-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259504
[1-(2-bromo-3-fluorophenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine
CID 105227417
[1-(oxolan-2-yl)-2-quinolin-2-ylethyl]hydrazine
CID 105228979

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-3-fluorophenyl)-1-(oxolan-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-bromo-3-fluorophenyl)-1-(oxolan-2-yl)ethyl]hydrazine (CID 105228977) is [2-(2-bromo-3-fluorophenyl)-1-(oxolan-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-bromo-3-fluorophenyl)-1-(oxolan-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-bromo-3-fluorophenyl)-1-(oxolan-2-yl)ethyl]hydrazine is NNC(Cc1cccc(F)c1Br)C1CCCO1.
What is the InChIKey of [2-(2-bromo-3-fluorophenyl)-1-(oxolan-2-yl)ethyl]hydrazine?
The InChIKey is IQVXZWUMUXAECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c13-12-8(3-1-4-9(12)14)7-10(16-15)11-5-2-6-17-11/h1,3-4,10-11,16H,2,5-7,15H2.
What are the key properties of [2-(2-bromo-3-fluorophenyl)-1-(oxolan-2-yl)ethyl]hydrazine?
[2-(2-bromo-3-fluorophenyl)-1-(oxolan-2-yl)ethyl]hydrazine has a molecular weight of 303.17 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-3-fluorophenyl)-1-(oxolan-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105228977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).