2,4-difluoro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline

C15H11F5N2 — CID 18224635

IUPAC2,4-difluoro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline
SMILESC/C(=N\Nc1ccc(F)cc1F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11F5N2/c1-9(10-3-2-4-11(7-10)15(18,19)20)21-22-14-6-5-12(16)8-13(14)17/h2-8,22H,1H3/b21-9+
InChIKeyOEFQUMTVKKYCTF-ZVBGSRNCSA-N
MW314.26 g/mol
LogP4.82
Rot. Bonds3

About 2,4-difluoro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline

2,4-difluoro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline (PubChem CID 18224635) has the molecular formula C15H11F5N2 and a molecular weight of 314.26 g/mol. Its IUPAC name is 2,4-difluoro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline.

Molecular Properties

Compound Name2,4-difluoro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline
PubChem CID18224635
Molecular FormulaC15H11F5N2
Molecular Weight314.26 g/mol
Exact Mass314.08
IUPAC Name2,4-difluoro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline
SMILESC/C(=N\Nc1ccc(F)cc1F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11F5N2/c1-9(10-3-2-4-11(7-10)15(18,19)20)21-22-14-6-5-12(16)8-13(14)17/h2-8,22H,1H3/b21-9+
InChIKeyOEFQUMTVKKYCTF-ZVBGSRNCSA-N
XLogP4.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 54.82
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-difluoro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline?
The IUPAC name of 2,4-difluoro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline (CID 18224635) is 2,4-difluoro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline.
What is the SMILES notation for 2,4-difluoro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline?
The canonical SMILES for 2,4-difluoro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline is C/C(=N\Nc1ccc(F)cc1F)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2,4-difluoro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline?
The InChIKey is OEFQUMTVKKYCTF-ZVBGSRNCSA-N. The full InChI is InChI=1S/C15H11F5N2/c1-9(10-3-2-4-11(7-10)15(18,19)20)21-22-14-6-5-12(16)8-13(14)17/h2-8,22H,1H3/b21-9+.
What are the key properties of 2,4-difluoro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline?
2,4-difluoro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline has a molecular weight of 314.26 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline is sourced from PubChem (CID 18224635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).