[2-(3-bromo-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine

C13H18BrFN2O — CID 105290501

IUPAC[2-(3-bromo-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine
SMILESCC1CCC(C(Cc2ccc(F)c(Br)c2)NN)O1
InChIInChI=1S/C13H18BrFN2O/c1-8-2-5-13(18-8)12(17-16)7-9-3-4-11(15)10(14)6-9/h3-4,6,8,12-13,17H,2,5,7,16H2,1H3
InChIKeyGSALJIANPLSGHN-UHFFFAOYSA-N
MW317.20 g/mol
LogP2.53
Rot. Bonds4

About [2-(3-bromo-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine

[2-(3-bromo-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine (PubChem CID 105290501) has the molecular formula C13H18BrFN2O and a molecular weight of 317.20 g/mol. Its IUPAC name is [2-(3-bromo-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromo-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine
PubChem CID105290501
Molecular FormulaC13H18BrFN2O
Molecular Weight317.20 g/mol
Exact Mass316.06
IUPAC Name[2-(3-bromo-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine
SMILESCC1CCC(C(Cc2ccc(F)c(Br)c2)NN)O1
InChIInChI=1S/C13H18BrFN2O/c1-8-2-5-13(18-8)12(17-16)7-9-3-4-11(15)10(14)6-9/h3-4,6,8,12-13,17H,2,5,7,16H2,1H3
InChIKeyGSALJIANPLSGHN-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
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-chlorophenyl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine
CID 105283507
[2-(3-bromo-4-fluorophenyl)-1-(2-methylcyclopentyl)ethyl]hydrazine
CID 107193478
[2-(3-bromo-4-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105229545
[2-(2-chloro-6-fluorophenyl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine
CID 105289102
2-[bromo-(3-bromo-4-fluorophenyl)methyl]-5-methyloxolane
CID 81326767
2-(3-bromo-4-fluorophenyl)-1-cyclobutyl-N-methylethanamine
CID 64987034
[1-(3-bromo-4-fluorophenyl)-3-cyclopropylpropan-2-yl]hydrazine
CID 105253974
2-(3-chloro-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanamine
CID 103043101
2-(3-fluorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 115795534
[1-(3-bromo-4-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 103170422
2-(3,4-dichlorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 115843383
[2-(3,4-difluorophenyl)-1-(oxolan-2-yl)ethyl]hydrazine
CID 105229142

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromo-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine (CID 105290501) is [2-(3-bromo-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromo-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromo-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine is CC1CCC(C(Cc2ccc(F)c(Br)c2)NN)O1.
What is the InChIKey of [2-(3-bromo-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine?
The InChIKey is GSALJIANPLSGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O/c1-8-2-5-13(18-8)12(17-16)7-9-3-4-11(15)10(14)6-9/h3-4,6,8,12-13,17H,2,5,7,16H2,1H3.
What are the key properties of [2-(3-bromo-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine?
[2-(3-bromo-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine has a molecular weight of 317.20 g/mol, XLogP of 2.53, 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-(5-methyloxolan-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105290501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).