4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]aniline

C15H10F6N2 — CID 110841790

IUPAC4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]aniline
SMILESFC(F)(F)c1ccc(NN=Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H10F6N2/c16-14(17,18)11-4-6-13(7-5-11)23-22-9-10-2-1-3-12(8-10)15(19,20)21/h1-9,23H
InChIKeyOMDZDRDCVAJMIO-UHFFFAOYSA-N
MW332.25 g/mol
LogP5.17
Rot. Bonds3

About 4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]aniline

4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]aniline (PubChem CID 110841790) has the molecular formula C15H10F6N2 and a molecular weight of 332.25 g/mol. Its IUPAC name is 4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]aniline.

Molecular Properties

Compound Name4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]aniline
PubChem CID110841790
Molecular FormulaC15H10F6N2
Molecular Weight332.25 g/mol
Exact Mass332.07
IUPAC Name4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]aniline
SMILESFC(F)(F)c1ccc(NN=Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H10F6N2/c16-14(17,18)11-4-6-13(7-5-11)23-22-9-10-2-1-3-12(8-10)15(19,20)21/h1-9,23H
InChIKeyOMDZDRDCVAJMIO-UHFFFAOYSA-N
XLogP5.17
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.25
LogP ≤ 55.17
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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Related Compounds

N-[(3-methylphenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841664
4-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 5115489
N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 5341237
N-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-benzothiazol-2-amine
CID 3963202
2-methoxy-5-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 110841513
N-[(4-ethylphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 110841973
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-(trifluoromethyl)aniline
CID 110841846
4-chloro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 5134541
2-chloro-N-[(3-methylphenyl)methylideneamino]-5-(trifluoromethyl)aniline
CID 3532442
3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzoate
CID 7529688
(E)-N-phenoxy-1-[3-(trifluoromethyl)phenyl]methanimine
CID 11242540
1-[(Z)-[3-[fluoro(diiodo)methyl]phenyl]methylideneamino]-3-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]urea
CID 148980870

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]aniline?
The IUPAC name of 4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]aniline (CID 110841790) is 4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]aniline.
What is the SMILES notation for 4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]aniline?
The canonical SMILES for 4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]aniline is FC(F)(F)c1ccc(NN=Cc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]aniline?
The InChIKey is OMDZDRDCVAJMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6N2/c16-14(17,18)11-4-6-13(7-5-11)23-22-9-10-2-1-3-12(8-10)15(19,20)21/h1-9,23H.
What are the key properties of 4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]aniline?
4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]aniline has a molecular weight of 332.25 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]aniline is sourced from PubChem (CID 110841790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).