1-(4-Chlorophenyl)-2,2,2-trifluoroethanimine

C8H5ClF3N — CID 12236288

IUPAC1-(4-chlorophenyl)-2,2,2-trifluoroethanimine
SMILESC1=CC(=CC=C1C(=N)C(F)(F)F)Cl
InChIInChI=1S/C8H5ClF3N/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4,13H
InChIKeyLYTLEAFGVZOXQL-UHFFFAOYSA-N
MW207.58 g/mol
LogP3.40
Rot. Bonds1

About 1-(4-Chlorophenyl)-2,2,2-trifluoroethanimine

1-(4-Chlorophenyl)-2,2,2-trifluoroethanimine (PubChem CID 12236288) has the molecular formula C8H5ClF3N and a molecular weight of 207.58 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2,2,2-trifluoroethanimine.

Molecular Properties

Compound Name1-(4-Chlorophenyl)-2,2,2-trifluoroethanimine
PubChem CID12236288
Molecular FormulaC8H5ClF3N
Molecular Weight207.58 g/mol
Exact Mass207.01
IUPAC Name1-(4-chlorophenyl)-2,2,2-trifluoroethanimine
SMILESC1=CC(=CC=C1C(=N)C(F)(F)F)Cl
InChIInChI=1S/C8H5ClF3N/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4,13H
InChIKeyLYTLEAFGVZOXQL-UHFFFAOYSA-N
XLogP3.40
TPSA23.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity194

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.58
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-(4-Chlorophenyl)-2,2,2-trifluoroethanimine?
The IUPAC name of 1-(4-Chlorophenyl)-2,2,2-trifluoroethanimine (CID 12236288) is 1-(4-chlorophenyl)-2,2,2-trifluoroethanimine.
What is the SMILES notation for 1-(4-Chlorophenyl)-2,2,2-trifluoroethanimine?
The canonical SMILES for 1-(4-Chlorophenyl)-2,2,2-trifluoroethanimine is C1=CC(=CC=C1C(=N)C(F)(F)F)Cl.
What is the InChIKey of 1-(4-Chlorophenyl)-2,2,2-trifluoroethanimine?
The InChIKey is LYTLEAFGVZOXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3N/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4,13H.
What are the key properties of 1-(4-Chlorophenyl)-2,2,2-trifluoroethanimine?
1-(4-Chlorophenyl)-2,2,2-trifluoroethanimine has a molecular weight of 207.58 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-Chlorophenyl)-2,2,2-trifluoroethanimine is sourced from PubChem (CID 12236288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).