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

C15H9F6N3O2 — CID 5165965

IUPAC2-nitro-4-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methylideneamino]aniline
SMILESO=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1ccccc1C(F)(F)F
InChIInChI=1S/C15H9F6N3O2/c16-14(17,18)10-5-6-12(13(7-10)24(25)26)23-22-8-9-3-1-2-4-11(9)15(19,20)21/h1-8,23H
InChIKeyTVOMOCIVIATQNB-UHFFFAOYSA-N
MW377.24 g/mol
LogP5.08
Rot. Bonds4

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

2-nitro-4-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methylideneamino]aniline (PubChem CID 5165965) has the molecular formula C15H9F6N3O2 and a molecular weight of 377.24 g/mol. Its IUPAC name is 2-nitro-4-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methylideneamino]aniline.

Molecular Properties

Compound Name2-nitro-4-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methylideneamino]aniline
PubChem CID5165965
Molecular FormulaC15H9F6N3O2
Molecular Weight377.24 g/mol
Exact Mass377.06
IUPAC Name2-nitro-4-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methylideneamino]aniline
SMILESO=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1ccccc1C(F)(F)F
InChIInChI=1S/C15H9F6N3O2/c16-14(17,18)10-5-6-12(13(7-10)24(25)26)23-22-8-9-3-1-2-4-11(9)15(19,20)21/h1-8,23H
InChIKeyTVOMOCIVIATQNB-UHFFFAOYSA-N
XLogP5.08
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.24
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-ethylideneamino]-2-nitro-4-(trifluoromethyl)aniline
CID 173369416
2-nitro-N-[(3-nitrophenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 3610108
2,4-dibromo-6-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 137129344
4-chloro-2-nitro-6-[[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 3298245
2-nitro-N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]-4-(trifluoromethyl)aniline
CID 6241015
4-[(E)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 135799228
2-[(E)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-6-prop-2-enylphenol
CID 135678799
2-[[3-nitro-4-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]phenyl]sulfonylamino]benzoic acid
CID 4311350
4-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoic acid
CID 6272901
N-[(Z)-(5-chloro-2-methoxyphenyl)methylideneamino]-2-nitro-4-(trifluoromethyl)aniline
CID 126111855
4-methoxy-2-[(E)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 135678800
N-(4-fluorophenyl)-2-[2-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 126114427

Frequently Asked Questions

What is the IUPAC name of 2-nitro-4-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methylideneamino]aniline?
The IUPAC name of 2-nitro-4-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methylideneamino]aniline (CID 5165965) is 2-nitro-4-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methylideneamino]aniline.
What is the SMILES notation for 2-nitro-4-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methylideneamino]aniline?
The canonical SMILES for 2-nitro-4-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methylideneamino]aniline is O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1ccccc1C(F)(F)F.
What is the InChIKey of 2-nitro-4-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methylideneamino]aniline?
The InChIKey is TVOMOCIVIATQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F6N3O2/c16-14(17,18)10-5-6-12(13(7-10)24(25)26)23-22-8-9-3-1-2-4-11(9)15(19,20)21/h1-8,23H.
What are the key properties of 2-nitro-4-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methylideneamino]aniline?
2-nitro-4-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methylideneamino]aniline has a molecular weight of 377.24 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-4-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methylideneamino]aniline is sourced from PubChem (CID 5165965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).