2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl chloride

C9H7ClF3NO — CID 10421682

IUPAC2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl chloride
SMILESCOc1ccc(/N=C(\Cl)C(F)(F)F)cc1
InChIInChI=1S/C9H7ClF3NO/c1-15-7-4-2-6(3-5-7)14-8(10)9(11,12)13/h2-5H,1H3/b14-8-
InChIKeyCIRVADWNFWYATJ-ZSOIEALJSA-N
MW237.61 g/mol
LogP3.53
Rot. Bonds2

About 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl chloride

2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl chloride (PubChem CID 10421682) has the molecular formula C9H7ClF3NO and a molecular weight of 237.61 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl chloride.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl chloride
PubChem CID10421682
Molecular FormulaC9H7ClF3NO
Molecular Weight237.61 g/mol
Exact Mass237.02
IUPAC Name2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl chloride
SMILESCOc1ccc(/N=C(\Cl)C(F)(F)F)cc1
InChIInChI=1S/C9H7ClF3NO/c1-15-7-4-2-6(3-5-7)14-8(10)9(11,12)13/h2-5H,1H3/b14-8-
InChIKeyCIRVADWNFWYATJ-ZSOIEALJSA-N
XLogP3.53
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.61
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl chloride 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 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl chloride?
The IUPAC name of 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl chloride (CID 10421682) is 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl chloride.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl chloride?
The canonical SMILES for 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl chloride is COc1ccc(/N=C(\Cl)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl chloride?
The InChIKey is CIRVADWNFWYATJ-ZSOIEALJSA-N. The full InChI is InChI=1S/C9H7ClF3NO/c1-15-7-4-2-6(3-5-7)14-8(10)9(11,12)13/h2-5H,1H3/b14-8-.
What are the key properties of 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl chloride?
2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl chloride has a molecular weight of 237.61 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl chloride is sourced from PubChem (CID 10421682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).