1-(4-fluoro-3-nitrophenyl)-N-methylmethanimine

C8H7FN2O2 — CID 13349118

IUPAC1-(4-fluoro-3-nitrophenyl)-N-methylmethanimine
SMILESC/N=C/c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C8H7FN2O2/c1-10-5-6-2-3-7(9)8(4-6)11(12)13/h2-5H,1H3/b10-5+
InChIKeyNROWRLLJTIQOPG-BJMVGYQFSA-N
MW182.15 g/mol
LogP1.78
Rot. Bonds2

About 1-(4-fluoro-3-nitrophenyl)-N-methylmethanimine

1-(4-fluoro-3-nitrophenyl)-N-methylmethanimine (PubChem CID 13349118) has the molecular formula C8H7FN2O2 and a molecular weight of 182.15 g/mol. Its IUPAC name is 1-(4-fluoro-3-nitrophenyl)-N-methylmethanimine.

Molecular Properties

Compound Name1-(4-fluoro-3-nitrophenyl)-N-methylmethanimine
PubChem CID13349118
Molecular FormulaC8H7FN2O2
Molecular Weight182.15 g/mol
Exact Mass182.05
IUPAC Name1-(4-fluoro-3-nitrophenyl)-N-methylmethanimine
SMILESC/N=C/c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C8H7FN2O2/c1-10-5-6-2-3-7(9)8(4-6)11(12)13/h2-5H,1H3/b10-5+
InChIKeyNROWRLLJTIQOPG-BJMVGYQFSA-N
XLogP1.78
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 51.78
H-Bond Donors ≤ 50
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

1-fluoro-2-nitro-4-[(E)-2-nitroethenyl]benzene
CID 79015854
2-[(E)-(4-fluoro-3-nitrophenyl)methylideneamino]-1-hydroxyguanidine
CID 10158636
4-fluoro-N-methyl-3-nitroaniline
CID 63089505
4-(4-fluoro-3-nitrophenyl)but-3-ene-1-thiol
CID 170478745
1-fluoro-4-methylsulfanyl-2-nitrobenzene
CID 18509240
1-fluoro-4-iodo-2-nitrobenzene
CID 14590582
diethyl-(4-fluoro-3-nitrophenyl)imino-oxo-λ6-sulfane
CID 125455811
4-fluoro-N-methoxy-3-nitroaniline
CID 154020303
1,4-difluoro-2,5-dinitrobenzene
CID 14951568
ethyl (Z)-3-(4-fluoro-3-nitrophenyl)-2-methylprop-2-enoate
CID 121002140
4-[(E)-[(E)-(4-amino-3-nitrophenyl)methylidenehydrazinylidene]methyl]-2-nitroaniline
CID 139175508
(3E)-3-[(4-fluoro-3-nitrophenyl)methylidene]-2-benzofuran-1-one
CID 18444361

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-nitrophenyl)-N-methylmethanimine?
The IUPAC name of 1-(4-fluoro-3-nitrophenyl)-N-methylmethanimine (CID 13349118) is 1-(4-fluoro-3-nitrophenyl)-N-methylmethanimine.
What is the SMILES notation for 1-(4-fluoro-3-nitrophenyl)-N-methylmethanimine?
The canonical SMILES for 1-(4-fluoro-3-nitrophenyl)-N-methylmethanimine is C/N=C/c1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(4-fluoro-3-nitrophenyl)-N-methylmethanimine?
The InChIKey is NROWRLLJTIQOPG-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H7FN2O2/c1-10-5-6-2-3-7(9)8(4-6)11(12)13/h2-5H,1H3/b10-5+.
What are the key properties of 1-(4-fluoro-3-nitrophenyl)-N-methylmethanimine?
1-(4-fluoro-3-nitrophenyl)-N-methylmethanimine has a molecular weight of 182.15 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-nitrophenyl)-N-methylmethanimine is sourced from PubChem (CID 13349118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).