[2-(3-bromo-2,6-difluorophenyl)-1-(2-methyloxolan-3-yl)ethyl]hydrazine

C13H17BrF2N2O — CID 106271487

IUPAC[2-(3-bromo-2,6-difluorophenyl)-1-(2-methyloxolan-3-yl)ethyl]hydrazine
SMILESCC1OCCC1C(Cc1c(F)ccc(Br)c1F)NN
InChIInChI=1S/C13H17BrF2N2O/c1-7-8(4-5-19-7)12(18-17)6-9-11(15)3-2-10(14)13(9)16/h2-3,7-8,12,18H,4-6,17H2,1H3
InChIKeyNAUPCZKRJNKTGX-UHFFFAOYSA-N
MW335.19 g/mol
LogP2.53
Rot. Bonds4

About [2-(3-bromo-2,6-difluorophenyl)-1-(2-methyloxolan-3-yl)ethyl]hydrazine

[2-(3-bromo-2,6-difluorophenyl)-1-(2-methyloxolan-3-yl)ethyl]hydrazine (PubChem CID 106271487) has the molecular formula C13H17BrF2N2O and a molecular weight of 335.19 g/mol. Its IUPAC name is [2-(3-bromo-2,6-difluorophenyl)-1-(2-methyloxolan-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromo-2,6-difluorophenyl)-1-(2-methyloxolan-3-yl)ethyl]hydrazine
PubChem CID106271487
Molecular FormulaC13H17BrF2N2O
Molecular Weight335.19 g/mol
Exact Mass334.05
IUPAC Name[2-(3-bromo-2,6-difluorophenyl)-1-(2-methyloxolan-3-yl)ethyl]hydrazine
SMILESCC1OCCC1C(Cc1c(F)ccc(Br)c1F)NN
InChIInChI=1S/C13H17BrF2N2O/c1-7-8(4-5-19-7)12(18-17)6-9-11(15)3-2-10(14)13(9)16/h2-3,7-8,12,18H,4-6,17H2,1H3
InChIKeyNAUPCZKRJNKTGX-UHFFFAOYSA-N
XLogP2.53
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(2,6-dichlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]hydrazine
CID 105293114
[2-(3-bromo-2,6-difluorophenyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethyl]hydrazine
CID 106271705
[2-(3-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]hydrazine
CID 105283424
2-(3-bromo-2,6-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine
CID 106267698
1-(2-methyloxolan-3-yl)butylhydrazine
CID 105282218
[1-(3-bromo-2,6-difluorophenyl)-3-methylbutan-2-yl]hydrazine
CID 106270740
2-(3-bromo-2,6-difluorophenyl)-1-(oxolan-2-yl)ethanamine
CID 106267560
[1-(3-bromo-2,6-difluorophenyl)-4-cyclopentylbutan-2-yl]hydrazine
CID 106271862
2-(3-bromo-2,6-difluorophenyl)-1-cycloheptyl-N-ethylethanamine
CID 106267625
(5-bromo-2-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 105011945
[3-(3-bromo-2,6-difluorophenyl)-1,1-dimethoxypropan-2-yl]hydrazine
CID 106271065
N-[2-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylbutyl]cyclopropanamine
CID 106271110

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-2,6-difluorophenyl)-1-(2-methyloxolan-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromo-2,6-difluorophenyl)-1-(2-methyloxolan-3-yl)ethyl]hydrazine (CID 106271487) is [2-(3-bromo-2,6-difluorophenyl)-1-(2-methyloxolan-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromo-2,6-difluorophenyl)-1-(2-methyloxolan-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromo-2,6-difluorophenyl)-1-(2-methyloxolan-3-yl)ethyl]hydrazine is CC1OCCC1C(Cc1c(F)ccc(Br)c1F)NN.
What is the InChIKey of [2-(3-bromo-2,6-difluorophenyl)-1-(2-methyloxolan-3-yl)ethyl]hydrazine?
The InChIKey is NAUPCZKRJNKTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrF2N2O/c1-7-8(4-5-19-7)12(18-17)6-9-11(15)3-2-10(14)13(9)16/h2-3,7-8,12,18H,4-6,17H2,1H3.
What are the key properties of [2-(3-bromo-2,6-difluorophenyl)-1-(2-methyloxolan-3-yl)ethyl]hydrazine?
[2-(3-bromo-2,6-difluorophenyl)-1-(2-methyloxolan-3-yl)ethyl]hydrazine has a molecular weight of 335.19 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-2,6-difluorophenyl)-1-(2-methyloxolan-3-yl)ethyl]hydrazine is sourced from PubChem (CID 106271487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).