2,2,2-trifluoro-N-phenylethanimidoyl chloride

C8H5ClF3N — CID 10058869

IUPAC2,2,2-trifluoro-N-phenylethanimidoyl chloride
SMILESFC(F)(F)/C(Cl)=N/c1ccccc1
InChIInChI=1S/C8H5ClF3N/c9-7(8(10,11)12)13-6-4-2-1-3-5-6/h1-5H/b13-7-
InChIKeyUKKALSJSKAHGTL-QPEQYQDCSA-N
MW207.58 g/mol
LogP3.52
Rot. Bonds1

About 2,2,2-trifluoro-N-phenylethanimidoyl chloride

2,2,2-trifluoro-N-phenylethanimidoyl chloride (PubChem CID 10058869) has the molecular formula C8H5ClF3N and a molecular weight of 207.58 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-phenylethanimidoyl chloride.

Molecular Properties

Compound Name2,2,2-trifluoro-N-phenylethanimidoyl chloride
PubChem CID10058869
Molecular FormulaC8H5ClF3N
Molecular Weight207.58 g/mol
Exact Mass207.01
IUPAC Name2,2,2-trifluoro-N-phenylethanimidoyl chloride
SMILESFC(F)(F)/C(Cl)=N/c1ccccc1
InChIInChI=1S/C8H5ClF3N/c9-7(8(10,11)12)13-6-4-2-1-3-5-6/h1-5H/b13-7-
InChIKeyUKKALSJSKAHGTL-QPEQYQDCSA-N
XLogP3.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.58
LogP ≤ 53.52
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-phenylethanimidoyl chloride?
The IUPAC name of 2,2,2-trifluoro-N-phenylethanimidoyl chloride (CID 10058869) is 2,2,2-trifluoro-N-phenylethanimidoyl chloride.
What is the SMILES notation for 2,2,2-trifluoro-N-phenylethanimidoyl chloride?
The canonical SMILES for 2,2,2-trifluoro-N-phenylethanimidoyl chloride is FC(F)(F)/C(Cl)=N/c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-phenylethanimidoyl chloride?
The InChIKey is UKKALSJSKAHGTL-QPEQYQDCSA-N. The full InChI is InChI=1S/C8H5ClF3N/c9-7(8(10,11)12)13-6-4-2-1-3-5-6/h1-5H/b13-7-.
What are the key properties of 2,2,2-trifluoro-N-phenylethanimidoyl chloride?
2,2,2-trifluoro-N-phenylethanimidoyl chloride has a molecular weight of 207.58 g/mol, XLogP of 3.52, 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-phenylethanimidoyl chloride is sourced from PubChem (CID 10058869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).