N-[(2-aminocyclohexa-1,3-dien-1-yl)amino]-N-(1-fluoroethenyl)hydroxylamine

C8H12FN3O — CID 144831942

IUPACN-[(2-aminocyclohexa-1,3-dien-1-yl)amino]-N-(1-fluoroethenyl)hydroxylamine
SMILESC=C(F)N(O)NC1=C(N)C=CCC1
InChIInChI=1S/C8H12FN3O/c1-6(9)12(13)11-8-5-3-2-4-7(8)10/h2,4,11,13H,1,3,5,10H2
InChIKeyGTHJVJWZBHWESM-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.14
Rot. Bonds3

About N-[(2-aminocyclohexa-1,3-dien-1-yl)amino]-N-(1-fluoroethenyl)hydroxylamine

N-[(2-aminocyclohexa-1,3-dien-1-yl)amino]-N-(1-fluoroethenyl)hydroxylamine (PubChem CID 144831942) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is N-[(2-aminocyclohexa-1,3-dien-1-yl)amino]-N-(1-fluoroethenyl)hydroxylamine.

Molecular Properties

Compound NameN-[(2-aminocyclohexa-1,3-dien-1-yl)amino]-N-(1-fluoroethenyl)hydroxylamine
PubChem CID144831942
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC NameN-[(2-aminocyclohexa-1,3-dien-1-yl)amino]-N-(1-fluoroethenyl)hydroxylamine
SMILESC=C(F)N(O)NC1=C(N)C=CCC1
InChIInChI=1S/C8H12FN3O/c1-6(9)12(13)11-8-5-3-2-4-7(8)10/h2,4,11,13H,1,3,5,10H2
InChIKeyGTHJVJWZBHWESM-UHFFFAOYSA-N
XLogP1.14
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2-aminocyclohexa-1,3-dien-1-yl)amino]-N-(1-fluoroethenyl)hydroxylamine 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

(6-Fluorocyclohexa-1,3-dien-1-yl)hydrazine
CID 163668641
[Cyclohexa-1,5-dien-1-yl(hydroxy)azaniumyl]-methylazanide
CID 163854229

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminocyclohexa-1,3-dien-1-yl)amino]-N-(1-fluoroethenyl)hydroxylamine?
The IUPAC name of N-[(2-aminocyclohexa-1,3-dien-1-yl)amino]-N-(1-fluoroethenyl)hydroxylamine (CID 144831942) is N-[(2-aminocyclohexa-1,3-dien-1-yl)amino]-N-(1-fluoroethenyl)hydroxylamine.
What is the SMILES notation for N-[(2-aminocyclohexa-1,3-dien-1-yl)amino]-N-(1-fluoroethenyl)hydroxylamine?
The canonical SMILES for N-[(2-aminocyclohexa-1,3-dien-1-yl)amino]-N-(1-fluoroethenyl)hydroxylamine is C=C(F)N(O)NC1=C(N)C=CCC1.
What is the InChIKey of N-[(2-aminocyclohexa-1,3-dien-1-yl)amino]-N-(1-fluoroethenyl)hydroxylamine?
The InChIKey is GTHJVJWZBHWESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-6(9)12(13)11-8-5-3-2-4-7(8)10/h2,4,11,13H,1,3,5,10H2.
What are the key properties of N-[(2-aminocyclohexa-1,3-dien-1-yl)amino]-N-(1-fluoroethenyl)hydroxylamine?
N-[(2-aminocyclohexa-1,3-dien-1-yl)amino]-N-(1-fluoroethenyl)hydroxylamine has a molecular weight of 185.20 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminocyclohexa-1,3-dien-1-yl)amino]-N-(1-fluoroethenyl)hydroxylamine is sourced from PubChem (CID 144831942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).