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

C8H4ClF4N — CID 10036625

IUPAC2,2,2-trifluoro-N-(4-fluorophenyl)ethanimidoyl chloride
SMILESFc1ccc(/N=C(\Cl)C(F)(F)F)cc1
InChIInChI=1S/C8H4ClF4N/c9-7(8(11,12)13)14-6-3-1-5(10)2-4-6/h1-4H/b14-7-
InChIKeyRQMRLWLPPFJICW-AUWJEWJLSA-N
MW225.57 g/mol
LogP3.66
Rot. Bonds1

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

2,2,2-trifluoro-N-(4-fluorophenyl)ethanimidoyl chloride (PubChem CID 10036625) has the molecular formula C8H4ClF4N and a molecular weight of 225.57 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-fluorophenyl)ethanimidoyl chloride.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-fluorophenyl)ethanimidoyl chloride
PubChem CID10036625
Molecular FormulaC8H4ClF4N
Molecular Weight225.57 g/mol
Exact Mass225.00
IUPAC Name2,2,2-trifluoro-N-(4-fluorophenyl)ethanimidoyl chloride
SMILESFc1ccc(/N=C(\Cl)C(F)(F)F)cc1
InChIInChI=1S/C8H4ClF4N/c9-7(8(11,12)13)14-6-3-1-5(10)2-4-6/h1-4H/b14-7-
InChIKeyRQMRLWLPPFJICW-AUWJEWJLSA-N
XLogP3.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.57
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-fluorophenyl)ethanimidoyl chloride?
The IUPAC name of 2,2,2-trifluoro-N-(4-fluorophenyl)ethanimidoyl chloride (CID 10036625) is 2,2,2-trifluoro-N-(4-fluorophenyl)ethanimidoyl chloride.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-fluorophenyl)ethanimidoyl chloride?
The canonical SMILES for 2,2,2-trifluoro-N-(4-fluorophenyl)ethanimidoyl chloride is Fc1ccc(/N=C(\Cl)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-(4-fluorophenyl)ethanimidoyl chloride?
The InChIKey is RQMRLWLPPFJICW-AUWJEWJLSA-N. The full InChI is InChI=1S/C8H4ClF4N/c9-7(8(11,12)13)14-6-3-1-5(10)2-4-6/h1-4H/b14-7-.
What are the key properties of 2,2,2-trifluoro-N-(4-fluorophenyl)ethanimidoyl chloride?
2,2,2-trifluoro-N-(4-fluorophenyl)ethanimidoyl chloride has a molecular weight of 225.57 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-fluorophenyl)ethanimidoyl chloride is sourced from PubChem (CID 10036625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).