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

C15H10F6N2O — CID 169384149

IUPACN-[[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]methylideneamino]aniline
SMILESFC(F)(F)Oc1ccc(C=NNc2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C15H10F6N2O/c16-14(17,18)12-8-10(6-7-13(12)24-15(19,20)21)9-22-23-11-4-2-1-3-5-11/h1-9,23H
InChIKeyLYSGTEUINYZHFI-UHFFFAOYSA-N
MW348.25 g/mol
LogP5.05
Rot. Bonds4

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

N-[[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]methylideneamino]aniline (PubChem CID 169384149) has the molecular formula C15H10F6N2O and a molecular weight of 348.25 g/mol. Its IUPAC name is N-[[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]methylideneamino]aniline
PubChem CID169384149
Molecular FormulaC15H10F6N2O
Molecular Weight348.25 g/mol
Exact Mass348.07
IUPAC NameN-[[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]methylideneamino]aniline
SMILESFC(F)(F)Oc1ccc(C=NNc2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C15H10F6N2O/c16-14(17,18)12-8-10(6-7-13(12)24-15(19,20)21)9-22-23-11-4-2-1-3-5-11/h1-9,23H
InChIKeyLYSGTEUINYZHFI-UHFFFAOYSA-N
XLogP5.05
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.25
LogP ≤ 55.05
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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Related Compounds

N-[[3-iodo-4-(trifluoromethoxy)phenyl]methylideneamino]aniline
CID 169383769
N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methylideneamino]aniline
CID 169382931
N-[[3-iodo-4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 169384130
N-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylideneamino]aniline
CID 169382672
6-oxo-4-phenyl-2-[2-[[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyrimidine-5-carbonitrile
CID 168571688
N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline
CID 6107807
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]aniline
CID 6073337
4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 110841790
N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 110841957
N-[[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]aniline
CID 169384243
2-tert-butyl-5-[(phenylhydrazinylidene)methyl]phenol
CID 169383629
N-[[3-(aminomethyl)-4-methoxyphenyl]methylideneamino]aniline
CID 169383589

Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]methylideneamino]aniline?
The IUPAC name of N-[[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]methylideneamino]aniline (CID 169384149) is N-[[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]methylideneamino]aniline is FC(F)(F)Oc1ccc(C=NNc2ccccc2)cc1C(F)(F)F.
What is the InChIKey of N-[[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]methylideneamino]aniline?
The InChIKey is LYSGTEUINYZHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6N2O/c16-14(17,18)12-8-10(6-7-13(12)24-15(19,20)21)9-22-23-11-4-2-1-3-5-11/h1-9,23H.
What are the key properties of N-[[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]methylideneamino]aniline?
N-[[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]methylideneamino]aniline has a molecular weight of 348.25 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]methylideneamino]aniline is sourced from PubChem (CID 169384149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).