1-[4-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine

C14H18F3NO2 — CID 74009025

IUPAC1-[4-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine
SMILESCON=C(c1ccc(OCC(C)(C)C)cc1)C(F)(F)F
InChIInChI=1S/C14H18F3NO2/c1-13(2,3)9-20-11-7-5-10(6-8-11)12(18-19-4)14(15,16)17/h5-8H,9H2,1-4H3
InChIKeyFUJRTWUZFGUTNQ-UHFFFAOYSA-N
MW289.30 g/mol
LogP4.02
Rot. Bonds4

About 1-[4-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine

1-[4-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine (PubChem CID 74009025) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 1-[4-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine.

Molecular Properties

Compound Name1-[4-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine
PubChem CID74009025
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name1-[4-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine
SMILESCON=C(c1ccc(OCC(C)(C)C)cc1)C(F)(F)F
InChIInChI=1S/C14H18F3NO2/c1-13(2,3)9-20-11-7-5-10(6-8-11)12(18-19-4)14(15,16)17/h5-8H,9H2,1-4H3
InChIKeyFUJRTWUZFGUTNQ-UHFFFAOYSA-N
XLogP4.02
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine 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 1-[4-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine?
The IUPAC name of 1-[4-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine (CID 74009025) is 1-[4-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine.
What is the SMILES notation for 1-[4-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine?
The canonical SMILES for 1-[4-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine is CON=C(c1ccc(OCC(C)(C)C)cc1)C(F)(F)F.
What is the InChIKey of 1-[4-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine?
The InChIKey is FUJRTWUZFGUTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-13(2,3)9-20-11-7-5-10(6-8-11)12(18-19-4)14(15,16)17/h5-8H,9H2,1-4H3.
What are the key properties of 1-[4-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine?
1-[4-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine has a molecular weight of 289.30 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine is sourced from PubChem (CID 74009025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).