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

C15H10F6N2 — CID 3511340

IUPAC2-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
SMILESFC(F)(F)c1ccc(C=NNc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C15H10F6N2/c16-14(17,18)11-7-5-10(6-8-11)9-22-23-13-4-2-1-3-12(13)15(19,20)21/h1-9,23H
InChIKeyRSRKMLAPULCNOT-UHFFFAOYSA-N
MW332.25 g/mol
LogP5.17
Rot. Bonds3

About 2-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline

2-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline (PubChem CID 3511340) has the molecular formula C15H10F6N2 and a molecular weight of 332.25 g/mol. Its IUPAC name is 2-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline.

Molecular Properties

Compound Name2-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
PubChem CID3511340
Molecular FormulaC15H10F6N2
Molecular Weight332.25 g/mol
Exact Mass332.07
IUPAC Name2-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
SMILESFC(F)(F)c1ccc(C=NNc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C15H10F6N2/c16-14(17,18)11-7-5-10(6-8-11)9-22-23-13-4-2-1-3-12(13)15(19,20)21/h1-9,23H
InChIKeyRSRKMLAPULCNOT-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-[(Z)-benzylideneamino]-2-(trifluoromethyl)aniline
CID 6305730
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(trifluoromethyl)aniline
CID 6187772
2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzoic acid
CID 75665244
N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(trifluoromethyl)aniline
CID 71145987
3-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoic acid
CID 59021950
2,5-difluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 134123873
3-chloro-5-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,2-diol
CID 135819465
2,3,4,5,6-pentafluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 134097959
2-nitro-4-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 135622227
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-(trifluoromethyl)aniline
CID 3976623
4-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 5115489
4-chloro-2-phenyl-5-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one
CID 110512565

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline?
The IUPAC name of 2-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline (CID 3511340) is 2-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline.
What is the SMILES notation for 2-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline?
The canonical SMILES for 2-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline is FC(F)(F)c1ccc(C=NNc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 2-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline?
The InChIKey is RSRKMLAPULCNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6N2/c16-14(17,18)11-7-5-10(6-8-11)9-22-23-13-4-2-1-3-12(13)15(19,20)21/h1-9,23H.
What are the key properties of 2-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline?
2-(trifluoromethyl)-N-[[4-(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 2-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline is sourced from PubChem (CID 3511340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).