2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(4-nitrophenyl)ethanimine

C15H11F3N2O3 — CID 177478664

IUPAC2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(4-nitrophenyl)ethanimine
SMILESCOc1ccc(/C(=N/c2ccc([N+](=O)[O-])cc2)C(F)(F)F)cc1
InChIInChI=1S/C15H11F3N2O3/c1-23-13-8-2-10(3-9-13)14(15(16,17)18)19-11-4-6-12(7-5-11)20(21)22/h2-9H,1H3/b19-14-
InChIKeySETAMOGUXKDOBF-RGEXLXHISA-N
MW324.26 g/mol
LogP4.29
Rot. Bonds4

About 2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(4-nitrophenyl)ethanimine

2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(4-nitrophenyl)ethanimine (PubChem CID 177478664) has the molecular formula C15H11F3N2O3 and a molecular weight of 324.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(4-nitrophenyl)ethanimine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(4-nitrophenyl)ethanimine
PubChem CID177478664
Molecular FormulaC15H11F3N2O3
Molecular Weight324.26 g/mol
Exact Mass324.07
IUPAC Name2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(4-nitrophenyl)ethanimine
SMILESCOc1ccc(/C(=N/c2ccc([N+](=O)[O-])cc2)C(F)(F)F)cc1
InChIInChI=1S/C15H11F3N2O3/c1-23-13-8-2-10(3-9-13)14(15(16,17)18)19-11-4-6-12(7-5-11)20(21)22/h2-9H,1H3/b19-14-
InChIKeySETAMOGUXKDOBF-RGEXLXHISA-N
XLogP4.29
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.29
H-Bond Donors ≤ 50
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

(4-methoxyphenyl)-(4-nitrophenyl)imino-oxidoazanium
CID 15151138
1-[1-(4-methoxyphenyl)ethenyl]-4-nitrobenzene
CID 14961617
1-chloroethanol;1-methoxy-4-nitrobenzene
CID 145362894
N-(4-methoxyphenyl)-4-[(4-nitrophenyl)diazenyl]aniline
CID 163545972
N-[bis(4-methoxyphenyl)methylideneamino]-4-nitroaniline
CID 2836812
potassium (2S)-2-[[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino]propanoate
CID 102402408
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
[4-(4-methoxybenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 1147872
4-chloro-N,N'-bis(4-methoxyphenyl)-N-(4-nitrophenyl)sulfonylbenzenecarboximidamide
CID 4863332
N-(4-tert-butylphenyl)-1,1-bis(4-nitrophenyl)methanimine
CID 166063764
1-(4-methoxyphenyl)-4-[(Z)-3,3,3-trifluoro-1-nitroprop-1-en-2-yl]benzene
CID 12052590
2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl cyanide
CID 102573910

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(4-nitrophenyl)ethanimine?
The IUPAC name of 2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(4-nitrophenyl)ethanimine (CID 177478664) is 2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(4-nitrophenyl)ethanimine.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(4-nitrophenyl)ethanimine?
The canonical SMILES for 2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(4-nitrophenyl)ethanimine is COc1ccc(/C(=N/c2ccc([N+](=O)[O-])cc2)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(4-nitrophenyl)ethanimine?
The InChIKey is SETAMOGUXKDOBF-RGEXLXHISA-N. The full InChI is InChI=1S/C15H11F3N2O3/c1-23-13-8-2-10(3-9-13)14(15(16,17)18)19-11-4-6-12(7-5-11)20(21)22/h2-9H,1H3/b19-14-.
What are the key properties of 2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(4-nitrophenyl)ethanimine?
2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(4-nitrophenyl)ethanimine has a molecular weight of 324.26 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(4-nitrophenyl)ethanimine is sourced from PubChem (CID 177478664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).