2,2,2-trifluoro-N-[(1R)-1-phenylethyl]ethanimidoyl chloride

C10H9ClF3N — CID 10966483

IUPAC2,2,2-trifluoro-N-[(1R)-1-phenylethyl]ethanimidoyl chloride
SMILESC[C@@H](/N=C(\Cl)C(F)(F)F)c1ccccc1
InChIInChI=1S/C10H9ClF3N/c1-7(8-5-3-2-4-6-8)15-9(11)10(12,13)14/h2-7H,1H3/b15-9-/t7-/m1/s1
InChIKeyAFNJDWIJDCSFCX-AQBZHZHDSA-N
MW235.64 g/mol
LogP3.95
Rot. Bonds2

About 2,2,2-trifluoro-N-[(1R)-1-phenylethyl]ethanimidoyl chloride

2,2,2-trifluoro-N-[(1R)-1-phenylethyl]ethanimidoyl chloride (PubChem CID 10966483) has the molecular formula C10H9ClF3N and a molecular weight of 235.64 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1R)-1-phenylethyl]ethanimidoyl chloride.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1R)-1-phenylethyl]ethanimidoyl chloride
PubChem CID10966483
Molecular FormulaC10H9ClF3N
Molecular Weight235.64 g/mol
Exact Mass235.04
IUPAC Name2,2,2-trifluoro-N-[(1R)-1-phenylethyl]ethanimidoyl chloride
SMILESC[C@@H](/N=C(\Cl)C(F)(F)F)c1ccccc1
InChIInChI=1S/C10H9ClF3N/c1-7(8-5-3-2-4-6-8)15-9(11)10(12,13)14/h2-7H,1H3/b15-9-/t7-/m1/s1
InChIKeyAFNJDWIJDCSFCX-AQBZHZHDSA-N
XLogP3.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.64
LogP ≤ 53.95
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-[(1R)-1-phenylethyl]ethanimidoyl chloride?
The IUPAC name of 2,2,2-trifluoro-N-[(1R)-1-phenylethyl]ethanimidoyl chloride (CID 10966483) is 2,2,2-trifluoro-N-[(1R)-1-phenylethyl]ethanimidoyl chloride.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1R)-1-phenylethyl]ethanimidoyl chloride?
The canonical SMILES for 2,2,2-trifluoro-N-[(1R)-1-phenylethyl]ethanimidoyl chloride is C[C@@H](/N=C(\Cl)C(F)(F)F)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-[(1R)-1-phenylethyl]ethanimidoyl chloride?
The InChIKey is AFNJDWIJDCSFCX-AQBZHZHDSA-N. The full InChI is InChI=1S/C10H9ClF3N/c1-7(8-5-3-2-4-6-8)15-9(11)10(12,13)14/h2-7H,1H3/b15-9-/t7-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1R)-1-phenylethyl]ethanimidoyl chloride?
2,2,2-trifluoro-N-[(1R)-1-phenylethyl]ethanimidoyl chloride has a molecular weight of 235.64 g/mol, XLogP of 3.95, 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-[(1R)-1-phenylethyl]ethanimidoyl chloride is sourced from PubChem (CID 10966483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).