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

C8H6F3NO — CID 604931

IUPACN-(2,2,2-trifluoro-1-phenylethylidene)hydroxylamine
SMILESON=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
InChIKeyTUKWYJVGKNCDJJ-UHFFFAOYSA-N
MW189.14 g/mol
LogP2.43
Rot. Bonds1

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

N-(2,2,2-trifluoro-1-phenylethylidene)hydroxylamine (PubChem CID 604931) has the molecular formula C8H6F3NO and a molecular weight of 189.14 g/mol. Its IUPAC name is N-(2,2,2-trifluoro-1-phenylethylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2,2,2-trifluoro-1-phenylethylidene)hydroxylamine
PubChem CID604931
Molecular FormulaC8H6F3NO
Molecular Weight189.14 g/mol
Exact Mass189.04
IUPAC NameN-(2,2,2-trifluoro-1-phenylethylidene)hydroxylamine
SMILESON=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
InChIKeyTUKWYJVGKNCDJJ-UHFFFAOYSA-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 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 N-(2,2,2-trifluoro-1-phenylethylidene)hydroxylamine?
The IUPAC name of N-(2,2,2-trifluoro-1-phenylethylidene)hydroxylamine (CID 604931) is N-(2,2,2-trifluoro-1-phenylethylidene)hydroxylamine.
What is the SMILES notation for N-(2,2,2-trifluoro-1-phenylethylidene)hydroxylamine?
The canonical SMILES for N-(2,2,2-trifluoro-1-phenylethylidene)hydroxylamine is ON=C(c1ccccc1)C(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoro-1-phenylethylidene)hydroxylamine?
The InChIKey is TUKWYJVGKNCDJJ-UHFFFAOYSA-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.
What are the key properties of N-(2,2,2-trifluoro-1-phenylethylidene)hydroxylamine?
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 N-(2,2,2-trifluoro-1-phenylethylidene)hydroxylamine is sourced from PubChem (CID 604931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).