N-(4-chlorophenyl)-2,2,2-trifluoroethanimidoyl chloride

C8H4Cl2F3N — CID 10243436

IUPACN-(4-chlorophenyl)-2,2,2-trifluoroethanimidoyl chloride
SMILESFC(F)(F)/C(Cl)=N/c1ccc(Cl)cc1
InChIInChI=1S/C8H4Cl2F3N/c9-5-1-3-6(4-2-5)14-7(10)8(11,12)13/h1-4H/b14-7-
InChIKeyJAAZIJYCZQYEIZ-AUWJEWJLSA-N
MW242.03 g/mol
LogP4.17
Rot. Bonds1

About N-(4-chlorophenyl)-2,2,2-trifluoroethanimidoyl chloride

N-(4-chlorophenyl)-2,2,2-trifluoroethanimidoyl chloride (PubChem CID 10243436) has the molecular formula C8H4Cl2F3N and a molecular weight of 242.03 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2,2,2-trifluoroethanimidoyl chloride.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2,2,2-trifluoroethanimidoyl chloride
PubChem CID10243436
Molecular FormulaC8H4Cl2F3N
Molecular Weight242.03 g/mol
Exact Mass240.97
IUPAC NameN-(4-chlorophenyl)-2,2,2-trifluoroethanimidoyl chloride
SMILESFC(F)(F)/C(Cl)=N/c1ccc(Cl)cc1
InChIInChI=1S/C8H4Cl2F3N/c9-5-1-3-6(4-2-5)14-7(10)8(11,12)13/h1-4H/b14-7-
InChIKeyJAAZIJYCZQYEIZ-AUWJEWJLSA-N
XLogP4.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.03
LogP ≤ 54.17
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 N-(4-chlorophenyl)-2,2,2-trifluoroethanimidoyl chloride?
The IUPAC name of N-(4-chlorophenyl)-2,2,2-trifluoroethanimidoyl chloride (CID 10243436) is N-(4-chlorophenyl)-2,2,2-trifluoroethanimidoyl chloride.
What is the SMILES notation for N-(4-chlorophenyl)-2,2,2-trifluoroethanimidoyl chloride?
The canonical SMILES for N-(4-chlorophenyl)-2,2,2-trifluoroethanimidoyl chloride is FC(F)(F)/C(Cl)=N/c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2,2,2-trifluoroethanimidoyl chloride?
The InChIKey is JAAZIJYCZQYEIZ-AUWJEWJLSA-N. The full InChI is InChI=1S/C8H4Cl2F3N/c9-5-1-3-6(4-2-5)14-7(10)8(11,12)13/h1-4H/b14-7-.
What are the key properties of N-(4-chlorophenyl)-2,2,2-trifluoroethanimidoyl chloride?
N-(4-chlorophenyl)-2,2,2-trifluoroethanimidoyl chloride has a molecular weight of 242.03 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2,2,2-trifluoroethanimidoyl chloride is sourced from PubChem (CID 10243436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).