hydrazinyl 3-(5-bromo-2-fluorophenoxy)propanoate

C9H10BrFN2O3 — CID 114677081

IUPAChydrazinyl 3-(5-bromo-2-fluorophenoxy)propanoate
SMILESNNOC(=O)CCOc1cc(Br)ccc1F
InChIInChI=1S/C9H10BrFN2O3/c10-6-1-2-7(11)8(5-6)15-4-3-9(14)16-13-12/h1-2,5,13H,3-4,12H2
InChIKeyWUHNXCPXITUBJQ-UHFFFAOYSA-N
MW293.09 g/mol
LogP1.28
Rot. Bonds5

About hydrazinyl 3-(5-bromo-2-fluorophenoxy)propanoate

hydrazinyl 3-(5-bromo-2-fluorophenoxy)propanoate (PubChem CID 114677081) has the molecular formula C9H10BrFN2O3 and a molecular weight of 293.09 g/mol. Its IUPAC name is hydrazinyl 3-(5-bromo-2-fluorophenoxy)propanoate.

Molecular Properties

Compound Namehydrazinyl 3-(5-bromo-2-fluorophenoxy)propanoate
PubChem CID114677081
Molecular FormulaC9H10BrFN2O3
Molecular Weight293.09 g/mol
Exact Mass291.99
IUPAC Namehydrazinyl 3-(5-bromo-2-fluorophenoxy)propanoate
SMILESNNOC(=O)CCOc1cc(Br)ccc1F
InChIInChI=1S/C9H10BrFN2O3/c10-6-1-2-7(11)8(5-6)15-4-3-9(14)16-13-12/h1-2,5,13H,3-4,12H2
InChIKeyWUHNXCPXITUBJQ-UHFFFAOYSA-N
XLogP1.28
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.09
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze hydrazinyl 3-(5-bromo-2-fluorophenoxy)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-1-fluoro-2-(2-fluoroethoxy)benzene
CID 86627693
3-(5-bromo-2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 114674148
methyl 3-(5-bromo-2-methylphenoxy)propanoate
CID 107283195
ethyl 3-(2,5-difluorophenoxy)propanoate
CID 63268646
hydrazinyl 3-[2-(trifluoromethyl)phenoxy]propanoate
CID 66337646
tert-butyl N-[2-(5-bromo-2-fluorophenoxy)ethyl]carbamate
CID 138986153
hydrazinyl 3-(4-fluoro-2-nitrophenoxy)propanoate
CID 66339484
4-bromo-2-(3,3-dimethylbutoxy)-1-fluorobenzene
CID 114672544
hydrazinyl 3-(4-bromo-3,5-dimethylphenoxy)propanoate
CID 107726871
methyl 2-bromo-3-(5-bromo-2-fluorophenoxy)propanoate
CID 114671584
4-bromo-1-fluoro-2-(3-methylsulfonylpropoxy)benzene
CID 115918306
methyl 4-(4-bromo-2-fluorophenoxy)butanoate
CID 43378172

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-(5-bromo-2-fluorophenoxy)propanoate?
The IUPAC name of hydrazinyl 3-(5-bromo-2-fluorophenoxy)propanoate (CID 114677081) is hydrazinyl 3-(5-bromo-2-fluorophenoxy)propanoate.
What is the SMILES notation for hydrazinyl 3-(5-bromo-2-fluorophenoxy)propanoate?
The canonical SMILES for hydrazinyl 3-(5-bromo-2-fluorophenoxy)propanoate is NNOC(=O)CCOc1cc(Br)ccc1F.
What is the InChIKey of hydrazinyl 3-(5-bromo-2-fluorophenoxy)propanoate?
The InChIKey is WUHNXCPXITUBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFN2O3/c10-6-1-2-7(11)8(5-6)15-4-3-9(14)16-13-12/h1-2,5,13H,3-4,12H2.
What are the key properties of hydrazinyl 3-(5-bromo-2-fluorophenoxy)propanoate?
hydrazinyl 3-(5-bromo-2-fluorophenoxy)propanoate has a molecular weight of 293.09 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(5-bromo-2-fluorophenoxy)propanoate is sourced from PubChem (CID 114677081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).