1-(2,6-difluoro-3-nitrophenyl)ethanimine

C8H6F2N2O2 — CID 118580071

IUPAC1-(2,6-difluoro-3-nitrophenyl)ethanimine
SMILES[H]/N=C(\C)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C8H6F2N2O2/c1-4(11)7-5(9)2-3-6(8(7)10)12(13)14/h2-3,11H,1H3/b11-4+
InChIKeySLWLJUBBSWOWCX-NYYWCZLTSA-N
MW200.14 g/mol
LogP2.26
Rot. Bonds2

About 1-(2,6-difluoro-3-nitrophenyl)ethanimine

1-(2,6-difluoro-3-nitrophenyl)ethanimine (PubChem CID 118580071) has the molecular formula C8H6F2N2O2 and a molecular weight of 200.14 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-nitrophenyl)ethanimine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-nitrophenyl)ethanimine
PubChem CID118580071
Molecular FormulaC8H6F2N2O2
Molecular Weight200.14 g/mol
Exact Mass200.04
IUPAC Name1-(2,6-difluoro-3-nitrophenyl)ethanimine
SMILES[H]/N=C(\C)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C8H6F2N2O2/c1-4(11)7-5(9)2-3-6(8(7)10)12(13)14/h2-3,11H,1H3/b11-4+
InChIKeySLWLJUBBSWOWCX-NYYWCZLTSA-N
XLogP2.26
TPSA66.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.14
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2,6-difluoro-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 79755848
2,6-difluoro-3-nitrobenzamide
CID 2780101
2,6-difluoro-N'-methyl-3-nitrobenzenecarboximidamide
CID 79768181
1-(2,6-difluoro-3-nitrophenyl)-2-methylsulfanylethanone
CID 79773473
3-(2,6-difluoro-3-nitrophenyl)-3-oxopropanoic acid
CID 170887010
1-(6-chloro-2-fluoro-3-nitrophenyl)ethanone
CID 171008037
2,6-difluoro-3-nitrobenzoyl isocyanate
CID 23038946
[(2,6-difluoro-3-nitrobenzoyl)amino]urea
CID 79772861
N-(3-bromopropyl)-2,6-difluoro-N-methyl-3-nitrobenzamide
CID 106441102
(4-methylcyclohexyl) 2,6-difluoro-3-nitrobenzoate
CID 107123598
N-ethyl-2,6-difluoro-3-nitro-N-propylbenzamide
CID 113252601
2,6-difluoro-N-(2-hydroxyethyl)-N-methyl-3-nitrobenzamide
CID 79773192

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-nitrophenyl)ethanimine?
The IUPAC name of 1-(2,6-difluoro-3-nitrophenyl)ethanimine (CID 118580071) is 1-(2,6-difluoro-3-nitrophenyl)ethanimine.
What is the SMILES notation for 1-(2,6-difluoro-3-nitrophenyl)ethanimine?
The canonical SMILES for 1-(2,6-difluoro-3-nitrophenyl)ethanimine is [H]/N=C(\C)c1c(F)ccc([N+](=O)[O-])c1F.
What is the InChIKey of 1-(2,6-difluoro-3-nitrophenyl)ethanimine?
The InChIKey is SLWLJUBBSWOWCX-NYYWCZLTSA-N. The full InChI is InChI=1S/C8H6F2N2O2/c1-4(11)7-5(9)2-3-6(8(7)10)12(13)14/h2-3,11H,1H3/b11-4+.
What are the key properties of 1-(2,6-difluoro-3-nitrophenyl)ethanimine?
1-(2,6-difluoro-3-nitrophenyl)ethanimine has a molecular weight of 200.14 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-nitrophenyl)ethanimine is sourced from PubChem (CID 118580071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).