hydrazinyl 3-(4-fluoro-2-nitrophenoxy)propanoate

C9H10FN3O5 — CID 66339484

IUPAChydrazinyl 3-(4-fluoro-2-nitrophenoxy)propanoate
SMILESNNOC(=O)CCOc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10FN3O5/c10-6-1-2-8(7(5-6)13(15)16)17-4-3-9(14)18-12-11/h1-2,5,12H,3-4,11H2
InChIKeyUOLWTTKYZNKYTI-UHFFFAOYSA-N
MW259.19 g/mol
LogP0.42
Rot. Bonds6

About hydrazinyl 3-(4-fluoro-2-nitrophenoxy)propanoate

hydrazinyl 3-(4-fluoro-2-nitrophenoxy)propanoate (PubChem CID 66339484) has the molecular formula C9H10FN3O5 and a molecular weight of 259.19 g/mol. Its IUPAC name is hydrazinyl 3-(4-fluoro-2-nitrophenoxy)propanoate.

Molecular Properties

Compound Namehydrazinyl 3-(4-fluoro-2-nitrophenoxy)propanoate
PubChem CID66339484
Molecular FormulaC9H10FN3O5
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Namehydrazinyl 3-(4-fluoro-2-nitrophenoxy)propanoate
SMILESNNOC(=O)CCOc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10FN3O5/c10-6-1-2-8(7(5-6)13(15)16)17-4-3-9(14)18-12-11/h1-2,5,12H,3-4,11H2
InChIKeyUOLWTTKYZNKYTI-UHFFFAOYSA-N
XLogP0.42
TPSA116.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze hydrazinyl 3-(4-fluoro-2-nitrophenoxy)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

5-(4-fluoro-2-nitrophenoxy)pentanehydrazide
CID 63568590
5-(4-fluoro-2-nitrophenoxy)pentan-2-one
CID 62369027
1-(3-bromopropoxy)-4-fluoro-2-nitrobenzene
CID 62368338
5-(4-fluoro-2-nitrophenoxy)-N'-hydroxypentanimidamide
CID 55068583
bis(4-fluoro-2-nitrophenyl) pentanedioate
CID 4080106
4-(5-fluoro-2-nitrophenoxy)butanehydrazide
CID 55212419
1-(4-fluoro-2-nitrophenoxy)pentan-2-one
CID 62368535
N-[3-(4-fluoro-2-nitrophenoxy)propyl]-2-methylpropan-2-amine
CID 62369349
4-[(4-fluoro-2-nitrophenoxy)methyl]piperidin-4-ol
CID 81041016
1-(4-fluoro-2-nitrophenoxy)propan-2-ol
CID 65277245
dipotassium;2-[3-(4-fluoro-2-nitrophenoxy)propyl]isoindole-1,3-dione;carbonate
CID 157050689
ethyl 2-amino-3-(4-fluoro-2-nitrophenoxy)propanoate
CID 62368869

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-(4-fluoro-2-nitrophenoxy)propanoate?
The IUPAC name of hydrazinyl 3-(4-fluoro-2-nitrophenoxy)propanoate (CID 66339484) is hydrazinyl 3-(4-fluoro-2-nitrophenoxy)propanoate.
What is the SMILES notation for hydrazinyl 3-(4-fluoro-2-nitrophenoxy)propanoate?
The canonical SMILES for hydrazinyl 3-(4-fluoro-2-nitrophenoxy)propanoate is NNOC(=O)CCOc1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of hydrazinyl 3-(4-fluoro-2-nitrophenoxy)propanoate?
The InChIKey is UOLWTTKYZNKYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O5/c10-6-1-2-8(7(5-6)13(15)16)17-4-3-9(14)18-12-11/h1-2,5,12H,3-4,11H2.
What are the key properties of hydrazinyl 3-(4-fluoro-2-nitrophenoxy)propanoate?
hydrazinyl 3-(4-fluoro-2-nitrophenoxy)propanoate has a molecular weight of 259.19 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(4-fluoro-2-nitrophenoxy)propanoate is sourced from PubChem (CID 66339484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).