2,4,6-trichloro-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]aniline

C14H8Cl3F3N2 — CID 15430508

IUPAC2,4,6-trichloro-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]aniline
SMILESFC(F)(F)/C(=N\Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C14H8Cl3F3N2/c15-9-6-10(16)12(11(17)7-9)21-22-13(14(18,19)20)8-4-2-1-3-5-8/h1-7,21H/b22-13-
InChIKeyCFXIXWOIVHPBRC-XKZIYDEJSA-N
MW367.59 g/mol
LogP6.03
Rot. Bonds3

About 2,4,6-trichloro-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]aniline

2,4,6-trichloro-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]aniline (PubChem CID 15430508) has the molecular formula C14H8Cl3F3N2 and a molecular weight of 367.59 g/mol. Its IUPAC name is 2,4,6-trichloro-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]aniline
PubChem CID15430508
Molecular FormulaC14H8Cl3F3N2
Molecular Weight367.59 g/mol
Exact Mass365.97
IUPAC Name2,4,6-trichloro-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]aniline
SMILESFC(F)(F)/C(=N\Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C14H8Cl3F3N2/c15-9-6-10(16)12(11(17)7-9)21-22-13(14(18,19)20)8-4-2-1-3-5-8/h1-7,21H/b22-13-
InChIKeyCFXIXWOIVHPBRC-XKZIYDEJSA-N
XLogP6.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.59
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]aniline?
The IUPAC name of 2,4,6-trichloro-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]aniline (CID 15430508) is 2,4,6-trichloro-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]aniline.
What is the SMILES notation for 2,4,6-trichloro-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]aniline?
The canonical SMILES for 2,4,6-trichloro-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]aniline is FC(F)(F)/C(=N\Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of 2,4,6-trichloro-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]aniline?
The InChIKey is CFXIXWOIVHPBRC-XKZIYDEJSA-N. The full InChI is InChI=1S/C14H8Cl3F3N2/c15-9-6-10(16)12(11(17)7-9)21-22-13(14(18,19)20)8-4-2-1-3-5-8/h1-7,21H/b22-13-.
What are the key properties of 2,4,6-trichloro-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]aniline?
2,4,6-trichloro-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]aniline has a molecular weight of 367.59 g/mol, XLogP of 6.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]aniline is sourced from PubChem (CID 15430508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).