1-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine

C13H9FN2O2 — CID 4290678

IUPAC1-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1ccc(/N=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C13H9FN2O2/c14-11-3-1-10(2-4-11)9-15-12-5-7-13(8-6-12)16(17)18/h1-9H/b15-9+
InChIKeyPSZBLFDDXLQCSR-OQLLNIDSSA-N
MW244.23 g/mol
LogP3.48
Rot. Bonds3

About 1-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine

1-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine (PubChem CID 4290678) has the molecular formula C13H9FN2O2 and a molecular weight of 244.23 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine
PubChem CID4290678
Molecular FormulaC13H9FN2O2
Molecular Weight244.23 g/mol
Exact Mass244.06
IUPAC Name1-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1ccc(/N=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C13H9FN2O2/c14-11-3-1-10(2-4-11)9-15-12-5-7-13(8-6-12)16(17)18/h1-9H/b15-9+
InChIKeyPSZBLFDDXLQCSR-OQLLNIDSSA-N
XLogP3.48
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 53.48
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-(4-fluorophenyl)-N-[4-(4-nitrophenyl)phenyl]methanimine
CID 21177104
N-(4-iodophenyl)-1-(4-nitrophenyl)methanimine
CID 554970
4-[(4-nitrophenyl)iminomethyl]aniline
CID 15515058
1-[4-[(4-nitrophenyl)methylideneamino]phenyl]ethanone
CID 620155
1-(2-chloro-5-nitrophenyl)-N-(4-fluorophenyl)methanimine
CID 792316
4-[(4-nitrophenyl)methylideneamino]-N-phenylaniline
CID 787997
1-(18F)fluoro-4-nitrobenzene;methane
CID 157351409
N-naphthalen-2-yl-1-(4-nitrophenyl)methanimine
CID 826826
2-[2-hydroxy-5-[(4-nitrophenyl)methylideneamino]phenyl]-4-[(4-nitrophenyl)methylideneamino]phenol
CID 71362397
N-(3-chloro-4-methylphenyl)-1-(4-nitrophenyl)methanimine
CID 690795
1-(4-fluorophenyl)-N-(4-iodophenyl)methanimine
CID 554998
4-[(4-fluorophenyl)methylideneamino]benzenethiol
CID 15543881

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine?
The IUPAC name of 1-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine (CID 4290678) is 1-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine?
The canonical SMILES for 1-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine is O=[N+]([O-])c1ccc(/N=C/c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine?
The InChIKey is PSZBLFDDXLQCSR-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H9FN2O2/c14-11-3-1-10(2-4-11)9-15-12-5-7-13(8-6-12)16(17)18/h1-9H/b15-9+.
What are the key properties of 1-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine?
1-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine has a molecular weight of 244.23 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine is sourced from PubChem (CID 4290678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).