N-[(Z)-1-thiophen-2-ylethylideneamino]-2-(trifluoromethyl)aniline

C13H11F3N2S — CID 9069152

IUPACN-[(Z)-1-thiophen-2-ylethylideneamino]-2-(trifluoromethyl)aniline
SMILESC/C(=N/Nc1ccccc1C(F)(F)F)c1cccs1
InChIInChI=1S/C13H11F3N2S/c1-9(12-7-4-8-19-12)17-18-11-6-3-2-5-10(11)13(14,15)16/h2-8,18H,1H3/b17-9-
InChIKeyOHQLOUUNKFPVMV-MFOYZWKCSA-N
MW284.31 g/mol
LogP4.60
Rot. Bonds3

About N-[(Z)-1-thiophen-2-ylethylideneamino]-2-(trifluoromethyl)aniline

N-[(Z)-1-thiophen-2-ylethylideneamino]-2-(trifluoromethyl)aniline (PubChem CID 9069152) has the molecular formula C13H11F3N2S and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[(Z)-1-thiophen-2-ylethylideneamino]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(Z)-1-thiophen-2-ylethylideneamino]-2-(trifluoromethyl)aniline
PubChem CID9069152
Molecular FormulaC13H11F3N2S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC NameN-[(Z)-1-thiophen-2-ylethylideneamino]-2-(trifluoromethyl)aniline
SMILESC/C(=N/Nc1ccccc1C(F)(F)F)c1cccs1
InChIInChI=1S/C13H11F3N2S/c1-9(12-7-4-8-19-12)17-18-11-6-3-2-5-10(11)13(14,15)16/h2-8,18H,1H3/b17-9-
InChIKeyOHQLOUUNKFPVMV-MFOYZWKCSA-N
XLogP4.60
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[(Z)-1-thiophen-2-ylethylideneamino]-2-(trifluoromethyl)aniline?
The IUPAC name of N-[(Z)-1-thiophen-2-ylethylideneamino]-2-(trifluoromethyl)aniline (CID 9069152) is N-[(Z)-1-thiophen-2-ylethylideneamino]-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(Z)-1-thiophen-2-ylethylideneamino]-2-(trifluoromethyl)aniline?
The canonical SMILES for N-[(Z)-1-thiophen-2-ylethylideneamino]-2-(trifluoromethyl)aniline is C/C(=N/Nc1ccccc1C(F)(F)F)c1cccs1.
What is the InChIKey of N-[(Z)-1-thiophen-2-ylethylideneamino]-2-(trifluoromethyl)aniline?
The InChIKey is OHQLOUUNKFPVMV-MFOYZWKCSA-N. The full InChI is InChI=1S/C13H11F3N2S/c1-9(12-7-4-8-19-12)17-18-11-6-3-2-5-10(11)13(14,15)16/h2-8,18H,1H3/b17-9-.
What are the key properties of N-[(Z)-1-thiophen-2-ylethylideneamino]-2-(trifluoromethyl)aniline?
N-[(Z)-1-thiophen-2-ylethylideneamino]-2-(trifluoromethyl)aniline has a molecular weight of 284.31 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-thiophen-2-ylethylideneamino]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 9069152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).