[1-(3-bromo-2,6-difluorophenyl)-2-propan-2-yloxyethyl]hydrazine

C11H15BrF2N2O — CID 106945665

IUPAC[1-(3-bromo-2,6-difluorophenyl)-2-propan-2-yloxyethyl]hydrazine
SMILESCC(C)OCC(NN)c1c(F)ccc(Br)c1F
InChIInChI=1S/C11H15BrF2N2O/c1-6(2)17-5-9(16-15)10-8(13)4-3-7(12)11(10)14/h3-4,6,9,16H,5,15H2,1-2H3
InChIKeyBPNJWVBBKZVYEM-UHFFFAOYSA-N
MW309.15 g/mol
LogP2.66
Rot. Bonds5

About [1-(3-bromo-2,6-difluorophenyl)-2-propan-2-yloxyethyl]hydrazine

[1-(3-bromo-2,6-difluorophenyl)-2-propan-2-yloxyethyl]hydrazine (PubChem CID 106945665) has the molecular formula C11H15BrF2N2O and a molecular weight of 309.15 g/mol. Its IUPAC name is [1-(3-bromo-2,6-difluorophenyl)-2-propan-2-yloxyethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-2,6-difluorophenyl)-2-propan-2-yloxyethyl]hydrazine
PubChem CID106945665
Molecular FormulaC11H15BrF2N2O
Molecular Weight309.15 g/mol
Exact Mass308.03
IUPAC Name[1-(3-bromo-2,6-difluorophenyl)-2-propan-2-yloxyethyl]hydrazine
SMILESCC(C)OCC(NN)c1c(F)ccc(Br)c1F
InChIInChI=1S/C11H15BrF2N2O/c1-6(2)17-5-9(16-15)10-8(13)4-3-7(12)11(10)14/h3-4,6,9,16H,5,15H2,1-2H3
InChIKeyBPNJWVBBKZVYEM-UHFFFAOYSA-N
XLogP2.66
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 52.66
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

3-(3-bromo-2,6-difluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine
CID 106945415
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-propan-2-yloxyethyl]hydrazine
CID 106765612
[1-(3-bromo-2,6-difluorophenyl)-2-cyclobutylethyl]hydrazine
CID 106945539
[2-propan-2-yloxy-1-(2,4,6-trifluorophenyl)ethyl]hydrazine
CID 105323768
[1-(3-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutyl]hydrazine
CID 106945388
1-(3-bromo-2,6-difluorophenyl)-N-ethyl-2-methoxyethanamine
CID 106942336
[1-(2-fluorophenyl)-2-propan-2-yloxyethyl]hydrazine
CID 105216958
[1-(2-fluoro-5-methylphenyl)-2-propan-2-yloxyethyl]hydrazine
CID 105302713
[1-(3-bromo-2,6-difluorophenyl)-2-(3-fluorophenyl)ethyl]hydrazine
CID 106945264
2-(3-bromo-2,6-difluorophenyl)propan-1-amine
CID 106943854
[1-(2-fluoro-3-methylphenyl)-2-propan-2-yloxyethyl]hydrazine
CID 105323816
1-(3-bromo-2,6-difluorophenyl)-2-ethoxypropan-1-amine
CID 106942519

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-2,6-difluorophenyl)-2-propan-2-yloxyethyl]hydrazine?
The IUPAC name of [1-(3-bromo-2,6-difluorophenyl)-2-propan-2-yloxyethyl]hydrazine (CID 106945665) is [1-(3-bromo-2,6-difluorophenyl)-2-propan-2-yloxyethyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-2,6-difluorophenyl)-2-propan-2-yloxyethyl]hydrazine?
The canonical SMILES for [1-(3-bromo-2,6-difluorophenyl)-2-propan-2-yloxyethyl]hydrazine is CC(C)OCC(NN)c1c(F)ccc(Br)c1F.
What is the InChIKey of [1-(3-bromo-2,6-difluorophenyl)-2-propan-2-yloxyethyl]hydrazine?
The InChIKey is BPNJWVBBKZVYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrF2N2O/c1-6(2)17-5-9(16-15)10-8(13)4-3-7(12)11(10)14/h3-4,6,9,16H,5,15H2,1-2H3.
What are the key properties of [1-(3-bromo-2,6-difluorophenyl)-2-propan-2-yloxyethyl]hydrazine?
[1-(3-bromo-2,6-difluorophenyl)-2-propan-2-yloxyethyl]hydrazine has a molecular weight of 309.15 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-2,6-difluorophenyl)-2-propan-2-yloxyethyl]hydrazine is sourced from PubChem (CID 106945665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).