2,2,2-trifluoro-N-(2-iodophenyl)ethanimidoyl chloride

C8H4ClF3IN — CID 23131652

IUPAC2,2,2-trifluoro-N-(2-iodophenyl)ethanimidoyl chloride
SMILESFC(F)(F)/C(Cl)=N/c1ccccc1I
InChIInChI=1S/C8H4ClF3IN/c9-7(8(10,11)12)14-6-4-2-1-3-5(6)13/h1-4H/b14-7-
InChIKeyMWUIPXRSLWLIFP-AUWJEWJLSA-N
MW333.48 g/mol
LogP4.12
Rot. Bonds1

About 2,2,2-trifluoro-N-(2-iodophenyl)ethanimidoyl chloride

2,2,2-trifluoro-N-(2-iodophenyl)ethanimidoyl chloride (PubChem CID 23131652) has the molecular formula C8H4ClF3IN and a molecular weight of 333.48 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-iodophenyl)ethanimidoyl chloride.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-iodophenyl)ethanimidoyl chloride
PubChem CID23131652
Molecular FormulaC8H4ClF3IN
Molecular Weight333.48 g/mol
Exact Mass332.90
IUPAC Name2,2,2-trifluoro-N-(2-iodophenyl)ethanimidoyl chloride
SMILESFC(F)(F)/C(Cl)=N/c1ccccc1I
InChIInChI=1S/C8H4ClF3IN/c9-7(8(10,11)12)14-6-4-2-1-3-5(6)13/h1-4H/b14-7-
InChIKeyMWUIPXRSLWLIFP-AUWJEWJLSA-N
XLogP4.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Iodophenylisothiocyanate
CID 74938
(Z)-4-chloro-N-(4-iodophenyl)dithiazol-5-imine
CID 22765936
2-Iodophenyl isothiocyanate
CID 145310
3-Iodophenylisothiocyanate
CID 151083
2,2,2-Trifluoro-N-phenylacetimidoyl Chloride
CID 10058869
(Z)-2,2,2-trifluoro-N-(4-fluorophenyl)ethanecarbonimidoyl chloride
CID 10036625
(1E)-2,2,3,3,4,4,4-Heptafluoro-N-phenylbutan-1-imine
CID 71382954
Benzenamine, N-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]-
CID 10977588
N-phenylbis(trifluoromethyl)ketenimine
CID 12567449
1,1-difluoro-N-phenylmethanimine
CID 12699871
N-(4-chlorophenyl)-2,2,2-trifluoroethanecarbonimidoyl chloride
CID 10243436
N-(3-chlorophenyl)-2,2,2-trifluoroethanecarbonimidoyl chloride
CID 10444387

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-iodophenyl)ethanimidoyl chloride?
The IUPAC name of 2,2,2-trifluoro-N-(2-iodophenyl)ethanimidoyl chloride (CID 23131652) is 2,2,2-trifluoro-N-(2-iodophenyl)ethanimidoyl chloride.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-iodophenyl)ethanimidoyl chloride?
The canonical SMILES for 2,2,2-trifluoro-N-(2-iodophenyl)ethanimidoyl chloride is FC(F)(F)/C(Cl)=N/c1ccccc1I.
What is the InChIKey of 2,2,2-trifluoro-N-(2-iodophenyl)ethanimidoyl chloride?
The InChIKey is MWUIPXRSLWLIFP-AUWJEWJLSA-N. The full InChI is InChI=1S/C8H4ClF3IN/c9-7(8(10,11)12)14-6-4-2-1-3-5(6)13/h1-4H/b14-7-.
What are the key properties of 2,2,2-trifluoro-N-(2-iodophenyl)ethanimidoyl chloride?
2,2,2-trifluoro-N-(2-iodophenyl)ethanimidoyl chloride has a molecular weight of 333.48 g/mol, XLogP of 4.12, 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-(2-iodophenyl)ethanimidoyl chloride is sourced from PubChem (CID 23131652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).