[(2R)-2-fluoro-3-(4-nitrophenoxy)propyl]azaniumylideneazanide

C9H10FN3O3 — CID 140847466

IUPAC[(2R)-2-fluoro-3-(4-nitrophenoxy)propyl]azaniumylideneazanide
SMILES[N-]=[NH+]C[C@@H](F)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H10FN3O3/c10-7(5-12-11)6-16-9-3-1-8(2-4-9)13(14)15/h1-4,7,12H,5-6H2/t7-/m1/s1
InChIKeyJRXBJZQSVYDGPI-SSDOTTSWSA-N
MW227.19 g/mol
LogP0.41
Rot. Bonds6

About [(2R)-2-fluoro-3-(4-nitrophenoxy)propyl]azaniumylideneazanide

[(2R)-2-fluoro-3-(4-nitrophenoxy)propyl]azaniumylideneazanide (PubChem CID 140847466) has the molecular formula C9H10FN3O3 and a molecular weight of 227.19 g/mol. Its IUPAC name is [(2R)-2-fluoro-3-(4-nitrophenoxy)propyl]azaniumylideneazanide.

Molecular Properties

Compound Name[(2R)-2-fluoro-3-(4-nitrophenoxy)propyl]azaniumylideneazanide
PubChem CID140847466
Molecular FormulaC9H10FN3O3
Molecular Weight227.19 g/mol
Exact Mass227.07
IUPAC Name[(2R)-2-fluoro-3-(4-nitrophenoxy)propyl]azaniumylideneazanide
SMILES[N-]=[NH+]C[C@@H](F)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H10FN3O3/c10-7(5-12-11)6-16-9-3-1-8(2-4-9)13(14)15/h1-4,7,12H,5-6H2/t7-/m1/s1
InChIKeyJRXBJZQSVYDGPI-SSDOTTSWSA-N
XLogP0.41
TPSA88.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(2R)-2-fluoro-3-(4-nitrophenoxy)propyl]azaniumylideneazanide 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

(2R)-2-hydroxy-3-(4-nitrophenoxy)propanoic acid
CID 166746299
1-(4-nitrophenoxy)-3-phenoxypropan-2-ol
CID 10493641
(2R)-1-amino-3-(4-nitrophenoxy)propan-2-ol
CID 30078485
2,2-difluoro-N-[2-(4-nitrophenoxy)ethyl]ethanamine
CID 113303726
[1-nitrooxy-3-(4-nitrophenoxy)propan-2-yl] nitrate
CID 54170607
1-(iodomethoxy)-4-nitrobenzene
CID 70647757
1-[2-(bromomethyl)butoxy]-4-nitrobenzene
CID 64994794
(2S)-4-methyl-1-(4-nitrophenoxy)pentan-2-ol
CID 139311755
1-nitro-4-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 13072768
1-bromo-2,4-difluoro-3-[(4-nitrophenoxy)methyl]benzene
CID 106269937
1-(2-chloro-2,2-difluoroethoxy)-4-nitrobenzene
CID 134985893
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-fluoro-3-(4-nitrophenoxy)propyl]azaniumylideneazanide?
The IUPAC name of [(2R)-2-fluoro-3-(4-nitrophenoxy)propyl]azaniumylideneazanide (CID 140847466) is [(2R)-2-fluoro-3-(4-nitrophenoxy)propyl]azaniumylideneazanide.
What is the SMILES notation for [(2R)-2-fluoro-3-(4-nitrophenoxy)propyl]azaniumylideneazanide?
The canonical SMILES for [(2R)-2-fluoro-3-(4-nitrophenoxy)propyl]azaniumylideneazanide is [N-]=[NH+]C[C@@H](F)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of [(2R)-2-fluoro-3-(4-nitrophenoxy)propyl]azaniumylideneazanide?
The InChIKey is JRXBJZQSVYDGPI-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H10FN3O3/c10-7(5-12-11)6-16-9-3-1-8(2-4-9)13(14)15/h1-4,7,12H,5-6H2/t7-/m1/s1.
What are the key properties of [(2R)-2-fluoro-3-(4-nitrophenoxy)propyl]azaniumylideneazanide?
[(2R)-2-fluoro-3-(4-nitrophenoxy)propyl]azaniumylideneazanide has a molecular weight of 227.19 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-fluoro-3-(4-nitrophenoxy)propyl]azaniumylideneazanide is sourced from PubChem (CID 140847466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).