(NZ)-N-(2,2,2-trifluoro-1-phenylethylidene)hydroxylamine

C8H6F3NO — CID 6537078

IUPAC(NZ)-N-(2,2,2-trifluoro-1-phenylethylidene)hydroxylamine
SMILESO/N=C(/c1ccccc1)C(F)(F)F
InChIInChI=1S/C8H6F3NO/c9-8(10,11)7(12-13)6-4-2-1-3-5-6/h1-5,13H/b12-7-
InChIKeyTUKWYJVGKNCDJJ-GHXNOFRVSA-N
MW189.14 g/mol
LogP2.43
Rot. Bonds1

About (NZ)-N-(2,2,2-trifluoro-1-phenylethylidene)hydroxylamine

(NZ)-N-(2,2,2-trifluoro-1-phenylethylidene)hydroxylamine (PubChem CID 6537078) has the molecular formula C8H6F3NO and a molecular weight of 189.14 g/mol. Its IUPAC name is (NZ)-N-(2,2,2-trifluoro-1-phenylethylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(2,2,2-trifluoro-1-phenylethylidene)hydroxylamine
PubChem CID6537078
Molecular FormulaC8H6F3NO
Molecular Weight189.14 g/mol
Exact Mass189.04
IUPAC Name(NZ)-N-(2,2,2-trifluoro-1-phenylethylidene)hydroxylamine
SMILESO/N=C(/c1ccccc1)C(F)(F)F
InChIInChI=1S/C8H6F3NO/c9-8(10,11)7(12-13)6-4-2-1-3-5-6/h1-5,13H/b12-7-
InChIKeyTUKWYJVGKNCDJJ-GHXNOFRVSA-N
XLogP2.43
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NZ)-N-(2,2,2-trifluoro-1-phenylethylidene)hydroxylamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(2,2,2-trifluoro-1-phenylethylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(2,2,2-trifluoro-1-phenylethylidene)hydroxylamine (CID 6537078) is (NZ)-N-(2,2,2-trifluoro-1-phenylethylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(2,2,2-trifluoro-1-phenylethylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(2,2,2-trifluoro-1-phenylethylidene)hydroxylamine is O/N=C(/c1ccccc1)C(F)(F)F.
What is the InChIKey of (NZ)-N-(2,2,2-trifluoro-1-phenylethylidene)hydroxylamine?
The InChIKey is TUKWYJVGKNCDJJ-GHXNOFRVSA-N. The full InChI is InChI=1S/C8H6F3NO/c9-8(10,11)7(12-13)6-4-2-1-3-5-6/h1-5,13H/b12-7-.
What are the key properties of (NZ)-N-(2,2,2-trifluoro-1-phenylethylidene)hydroxylamine?
(NZ)-N-(2,2,2-trifluoro-1-phenylethylidene)hydroxylamine has a molecular weight of 189.14 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(2,2,2-trifluoro-1-phenylethylidene)hydroxylamine is sourced from PubChem (CID 6537078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).