4-nitro-N-[(Z)-2,2,2-trifluoroethylideneamino]aniline

C8H6F3N3O2 — CID 70056050

IUPAC4-nitro-N-[(Z)-2,2,2-trifluoroethylideneamino]aniline
SMILESO=[N+]([O-])c1ccc(N/N=C\C(F)(F)F)cc1
InChIInChI=1S/C8H6F3N3O2/c9-8(10,11)5-12-13-6-1-3-7(4-2-6)14(15)16/h1-5,13H/b12-5-
InChIKeyWBRQVRHVDSPRAI-XGICHPGQSA-N
MW233.15 g/mol
LogP2.55
Rot. Bonds3

About 4-nitro-N-[(Z)-2,2,2-trifluoroethylideneamino]aniline

4-nitro-N-[(Z)-2,2,2-trifluoroethylideneamino]aniline (PubChem CID 70056050) has the molecular formula C8H6F3N3O2 and a molecular weight of 233.15 g/mol. Its IUPAC name is 4-nitro-N-[(Z)-2,2,2-trifluoroethylideneamino]aniline.

Molecular Properties

Compound Name4-nitro-N-[(Z)-2,2,2-trifluoroethylideneamino]aniline
PubChem CID70056050
Molecular FormulaC8H6F3N3O2
Molecular Weight233.15 g/mol
Exact Mass233.04
IUPAC Name4-nitro-N-[(Z)-2,2,2-trifluoroethylideneamino]aniline
SMILESO=[N+]([O-])c1ccc(N/N=C\C(F)(F)F)cc1
InChIInChI=1S/C8H6F3N3O2/c9-8(10,11)5-12-13-6-1-3-7(4-2-6)14(15)16/h1-5,13H/b12-5-
InChIKeyWBRQVRHVDSPRAI-XGICHPGQSA-N
XLogP2.55
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 52.55
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

(2E)-2-[(4-nitrophenyl)hydrazinylidene]acetic acid
CID 11816613
N-[(4-nitrophenyl)methylideneamino]-4-(trifluoromethoxy)aniline
CID 67519187
N-[(E)-benzylideneamino]-4-nitroaniline
CID 6436771
N-[(E)-butylideneamino]-4-nitroaniline
CID 11095804
4-methyl-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
CID 5377402
4-nitro-N-(4,4,4-trifluorobutyl)aniline
CID 79040829
(1E)-1-[(4-nitrophenyl)hydrazinylidene]pentane-2,4-dione
CID 141451524
5-[(4-nitrophenyl)hydrazinylidene]pent-3-en-2-one
CID 131887668
2,2-dimethyl-N-(4-nitrophenyl)propanehydrazonoyl bromide
CID 71359909
2,2,2-trifluoro-N-(4-nitrophenyl)acetamide
CID 616367
N-bromo-4-nitroaniline
CID 54285277
(E)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoic acid
CID 2774696

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[(Z)-2,2,2-trifluoroethylideneamino]aniline?
The IUPAC name of 4-nitro-N-[(Z)-2,2,2-trifluoroethylideneamino]aniline (CID 70056050) is 4-nitro-N-[(Z)-2,2,2-trifluoroethylideneamino]aniline.
What is the SMILES notation for 4-nitro-N-[(Z)-2,2,2-trifluoroethylideneamino]aniline?
The canonical SMILES for 4-nitro-N-[(Z)-2,2,2-trifluoroethylideneamino]aniline is O=[N+]([O-])c1ccc(N/N=C\C(F)(F)F)cc1.
What is the InChIKey of 4-nitro-N-[(Z)-2,2,2-trifluoroethylideneamino]aniline?
The InChIKey is WBRQVRHVDSPRAI-XGICHPGQSA-N. The full InChI is InChI=1S/C8H6F3N3O2/c9-8(10,11)5-12-13-6-1-3-7(4-2-6)14(15)16/h1-5,13H/b12-5-.
What are the key properties of 4-nitro-N-[(Z)-2,2,2-trifluoroethylideneamino]aniline?
4-nitro-N-[(Z)-2,2,2-trifluoroethylideneamino]aniline has a molecular weight of 233.15 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[(Z)-2,2,2-trifluoroethylideneamino]aniline is sourced from PubChem (CID 70056050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).