2,2,2-trifluoro-N-[2-(2-methylphenyl)phenyl]ethanimidoyl chloride

C15H11ClF3N — CID 135072828

IUPAC2,2,2-trifluoro-N-[2-(2-methylphenyl)phenyl]ethanimidoyl chloride
SMILESCc1ccccc1-c1ccccc1/N=C(\Cl)C(F)(F)F
InChIInChI=1S/C15H11ClF3N/c1-10-6-2-3-7-11(10)12-8-4-5-9-13(12)20-14(16)15(17,18)19/h2-9H,1H3/b20-14-
InChIKeyTUEUTUSOLMVNFD-ZHZULCJRSA-N
MW297.71 g/mol
LogP5.49
Rot. Bonds2

About 2,2,2-trifluoro-N-[2-(2-methylphenyl)phenyl]ethanimidoyl chloride

2,2,2-trifluoro-N-[2-(2-methylphenyl)phenyl]ethanimidoyl chloride (PubChem CID 135072828) has the molecular formula C15H11ClF3N and a molecular weight of 297.71 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(2-methylphenyl)phenyl]ethanimidoyl chloride.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(2-methylphenyl)phenyl]ethanimidoyl chloride
PubChem CID135072828
Molecular FormulaC15H11ClF3N
Molecular Weight297.71 g/mol
Exact Mass297.05
IUPAC Name2,2,2-trifluoro-N-[2-(2-methylphenyl)phenyl]ethanimidoyl chloride
SMILESCc1ccccc1-c1ccccc1/N=C(\Cl)C(F)(F)F
InChIInChI=1S/C15H11ClF3N/c1-10-6-2-3-7-11(10)12-8-4-5-9-13(12)20-14(16)15(17,18)19/h2-9H,1H3/b20-14-
InChIKeyTUEUTUSOLMVNFD-ZHZULCJRSA-N
XLogP5.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.71
LogP ≤ 55.49
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-[2-(2-methylphenyl)phenyl]ethanimidoyl chloride?
The IUPAC name of 2,2,2-trifluoro-N-[2-(2-methylphenyl)phenyl]ethanimidoyl chloride (CID 135072828) is 2,2,2-trifluoro-N-[2-(2-methylphenyl)phenyl]ethanimidoyl chloride.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(2-methylphenyl)phenyl]ethanimidoyl chloride?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(2-methylphenyl)phenyl]ethanimidoyl chloride is Cc1ccccc1-c1ccccc1/N=C(\Cl)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(2-methylphenyl)phenyl]ethanimidoyl chloride?
The InChIKey is TUEUTUSOLMVNFD-ZHZULCJRSA-N. The full InChI is InChI=1S/C15H11ClF3N/c1-10-6-2-3-7-11(10)12-8-4-5-9-13(12)20-14(16)15(17,18)19/h2-9H,1H3/b20-14-.
What are the key properties of 2,2,2-trifluoro-N-[2-(2-methylphenyl)phenyl]ethanimidoyl chloride?
2,2,2-trifluoro-N-[2-(2-methylphenyl)phenyl]ethanimidoyl chloride has a molecular weight of 297.71 g/mol, XLogP of 5.49, 2 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-[2-(2-methylphenyl)phenyl]ethanimidoyl chloride is sourced from PubChem (CID 135072828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).