2,3,4,5,6-pentafluoro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline

C15H8F5N3O2 — CID 9466475

IUPAC2,3,4,5,6-pentafluoro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline
SMILESO=[N+]([O-])c1ccccc1/C=C/C=N\Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H8F5N3O2/c16-10-11(17)13(19)15(14(20)12(10)18)22-21-7-3-5-8-4-1-2-6-9(8)23(24)25/h1-7,22H/b5-3+,21-7-
InChIKeyNXXQRKSNUAAWOA-YTQDUARFSA-N
MW357.24 g/mol
LogP4.40
Rot. Bonds5

About 2,3,4,5,6-pentafluoro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline

2,3,4,5,6-pentafluoro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline (PubChem CID 9466475) has the molecular formula C15H8F5N3O2 and a molecular weight of 357.24 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline
PubChem CID9466475
Molecular FormulaC15H8F5N3O2
Molecular Weight357.24 g/mol
Exact Mass357.05
IUPAC Name2,3,4,5,6-pentafluoro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline
SMILESO=[N+]([O-])c1ccccc1/C=C/C=N\Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H8F5N3O2/c16-10-11(17)13(19)15(14(20)12(10)18)22-21-7-3-5-8-4-1-2-6-9(8)23(24)25/h1-7,22H/b5-3+,21-7-
InChIKeyNXXQRKSNUAAWOA-YTQDUARFSA-N
XLogP4.40
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,3,4,5,6-pentafluoro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-(trifluoromethyl)aniline
CID 6892921
3-(2-nitrophenyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]prop-2-en-1-imine
CID 4665830
N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine
CID 7933225
3,5-dichloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridin-2-amine
CID 6892976
4-nitro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzenesulfonamide
CID 5385147
3-chloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine
CID 6902838
N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pentanamide
CID 92534356
4-cyano-2-fluoro-N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide
CID 7341169
N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide
CID 6506022
1-cyclohexyl-3-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]urea
CID 6904289
N-[3-(2-nitrophenyl)prop-2-enylideneamino]-2-thiophen-2-ylacetamide
CID 3794109
1-(2,3-dimethylphenyl)-3-[3-(2-nitrophenyl)prop-2-enylideneamino]thiourea
CID 6797295

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline (CID 9466475) is 2,3,4,5,6-pentafluoro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline is O=[N+]([O-])c1ccccc1/C=C/C=N\Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline?
The InChIKey is NXXQRKSNUAAWOA-YTQDUARFSA-N. The full InChI is InChI=1S/C15H8F5N3O2/c16-10-11(17)13(19)15(14(20)12(10)18)22-21-7-3-5-8-4-1-2-6-9(8)23(24)25/h1-7,22H/b5-3+,21-7-.
What are the key properties of 2,3,4,5,6-pentafluoro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline?
2,3,4,5,6-pentafluoro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline has a molecular weight of 357.24 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline is sourced from PubChem (CID 9466475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).