(NZ)-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]hydroxylamine

C9H8F3NO2 — CID 13238648

IUPAC(NZ)-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]hydroxylamine
SMILESCOc1ccc(/C(=N/O)C(F)(F)F)cc1
InChIInChI=1S/C9H8F3NO2/c1-15-7-4-2-6(3-5-7)8(13-14)9(10,11)12/h2-5,14H,1H3/b13-8-
InChIKeyGTIRHANHGLHLIQ-JYRVWZFOSA-N
MW219.16 g/mol
LogP2.44
Rot. Bonds2

About (NZ)-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]hydroxylamine

(NZ)-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]hydroxylamine (PubChem CID 13238648) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is (NZ)-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]hydroxylamine
PubChem CID13238648
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Name(NZ)-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]hydroxylamine
SMILESCOc1ccc(/C(=N/O)C(F)(F)F)cc1
InChIInChI=1S/C9H8F3NO2/c1-15-7-4-2-6(3-5-7)8(13-14)9(10,11)12/h2-5,14H,1H3/b13-8-
InChIKeyGTIRHANHGLHLIQ-JYRVWZFOSA-N
XLogP2.44
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-methoxyphenyl)ethylidene]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-(4-methoxyphenyl)ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]hydroxylamine (CID 13238648) is (NZ)-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]hydroxylamine is COc1ccc(/C(=N/O)C(F)(F)F)cc1.
What is the InChIKey of (NZ)-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]hydroxylamine?
The InChIKey is GTIRHANHGLHLIQ-JYRVWZFOSA-N. The full InChI is InChI=1S/C9H8F3NO2/c1-15-7-4-2-6(3-5-7)8(13-14)9(10,11)12/h2-5,14H,1H3/b13-8-.
What are the key properties of (NZ)-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]hydroxylamine?
(NZ)-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]hydroxylamine has a molecular weight of 219.16 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 13238648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).