N-[2-methoxy-3-nitro-5-(trifluoromethyl)phenyl]hydroxylamine

C8H7F3N2O4 — CID 89090723

IUPACN-[2-methoxy-3-nitro-5-(trifluoromethyl)phenyl]hydroxylamine
SMILESCOc1c(NO)cc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C8H7F3N2O4/c1-17-7-5(12-14)2-4(8(9,10)11)3-6(7)13(15)16/h2-3,12,14H,1H3
InChIKeyHIENDHZLJQAHJC-UHFFFAOYSA-N
MW252.15 g/mol
LogP2.42
Rot. Bonds3

About N-[2-methoxy-3-nitro-5-(trifluoromethyl)phenyl]hydroxylamine

N-[2-methoxy-3-nitro-5-(trifluoromethyl)phenyl]hydroxylamine (PubChem CID 89090723) has the molecular formula C8H7F3N2O4 and a molecular weight of 252.15 g/mol. Its IUPAC name is N-[2-methoxy-3-nitro-5-(trifluoromethyl)phenyl]hydroxylamine.

Molecular Properties

Compound NameN-[2-methoxy-3-nitro-5-(trifluoromethyl)phenyl]hydroxylamine
PubChem CID89090723
Molecular FormulaC8H7F3N2O4
Molecular Weight252.15 g/mol
Exact Mass252.04
IUPAC NameN-[2-methoxy-3-nitro-5-(trifluoromethyl)phenyl]hydroxylamine
SMILESCOc1c(NO)cc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C8H7F3N2O4/c1-17-7-5(12-14)2-4(8(9,10)11)3-6(7)13(15)16/h2-3,12,14H,1H3
InChIKeyHIENDHZLJQAHJC-UHFFFAOYSA-N
XLogP2.42
TPSA84.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-methoxy-3-nitro-5-(trifluoromethyl)phenyl]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

Fluorodifen
CID 27295
1-Methoxy-4-methyl-2-nitrobenzene
CID 67058
2-Nitro-4-trifluoromethylanisole
CID 96748
2-Methoxy-5-(trifluoromethyl)aniline
CID 600637
1-(Butan-2-yl)-2-methoxy-3,5-dinitrobenzene
CID 138660
2-Methoxy-1,3-dinitro-5-(trifluoromethyl)benzene
CID 2804078
1-(4-Methoxyphenoxy)-2-nitro-4-(trifluoromethyl)benzene
CID 2775271
4-Methoxy-3,5-dinitrotoluene
CID 259649
1,3-Dinitro-2-(4-nitrophenoxy)-5-(trifluoromethyl)benzene
CID 4517006
2-Nitro-1-phenoxy-4-(trifluoromethyl)benzene
CID 245942
2-[2-Nitro-4-(trifluoromethyl)phenoxy]ethanol
CID 2805025
2,4-Dinitro-1-[4-(trifluoromethyl)phenoxy]benzene
CID 21499889

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-3-nitro-5-(trifluoromethyl)phenyl]hydroxylamine?
The IUPAC name of N-[2-methoxy-3-nitro-5-(trifluoromethyl)phenyl]hydroxylamine (CID 89090723) is N-[2-methoxy-3-nitro-5-(trifluoromethyl)phenyl]hydroxylamine.
What is the SMILES notation for N-[2-methoxy-3-nitro-5-(trifluoromethyl)phenyl]hydroxylamine?
The canonical SMILES for N-[2-methoxy-3-nitro-5-(trifluoromethyl)phenyl]hydroxylamine is COc1c(NO)cc(C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of N-[2-methoxy-3-nitro-5-(trifluoromethyl)phenyl]hydroxylamine?
The InChIKey is HIENDHZLJQAHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O4/c1-17-7-5(12-14)2-4(8(9,10)11)3-6(7)13(15)16/h2-3,12,14H,1H3.
What are the key properties of N-[2-methoxy-3-nitro-5-(trifluoromethyl)phenyl]hydroxylamine?
N-[2-methoxy-3-nitro-5-(trifluoromethyl)phenyl]hydroxylamine has a molecular weight of 252.15 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-3-nitro-5-(trifluoromethyl)phenyl]hydroxylamine is sourced from PubChem (CID 89090723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).