(Z)-1-(3-fluorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine

C15H13FN2O3 — CID 9354689

IUPAC(Z)-1-(3-fluorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine
SMILESC[C@@H](O/N=C\c1cccc(F)c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H13FN2O3/c1-11(13-5-3-7-15(9-13)18(19)20)21-17-10-12-4-2-6-14(16)8-12/h2-11H,1H3/b17-10-/t11-/m1/s1
InChIKeyRJFKZOJTWSMZGO-VBYYMIJXSA-N
MW288.28 g/mol
LogP3.85
Rot. Bonds5

About (Z)-1-(3-fluorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine

(Z)-1-(3-fluorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine (PubChem CID 9354689) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is (Z)-1-(3-fluorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine.

Molecular Properties

Compound Name(Z)-1-(3-fluorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine
PubChem CID9354689
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name(Z)-1-(3-fluorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine
SMILESC[C@@H](O/N=C\c1cccc(F)c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H13FN2O3/c1-11(13-5-3-7-15(9-13)18(19)20)21-17-10-12-4-2-6-14(16)8-12/h2-11H,1H3/b17-10-/t11-/m1/s1
InChIKeyRJFKZOJTWSMZGO-VBYYMIJXSA-N
XLogP3.85
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 53.85
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

(Z)-1-(2-methylphenyl)-N-[(1S)-1-(3-nitrophenyl)ethoxy]methanimine
CID 9354560
(Z)-1-(3-methoxy-4-propoxyphenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine
CID 9355033
(Z)-1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine
CID 9355492
N-(2,4-difluorophenyl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxypropanamide
CID 16960640
[(1S)-1-(3-nitrophenyl)ethyl] (E)-3-(3-methylphenyl)prop-2-enoate
CID 8955761
N-(2,4-difluorophenyl)-1-(3-nitrophenyl)methanimine
CID 122707231
1-(1-fluoroethyl)-3-nitrobenzene
CID 139245530
1-(3-nitrophenyl)ethyl sulfite
CID 174614635
ethane;1-nitro-3-propan-2-ylbenzene
CID 162531562
[(1S)-1-(3-nitrophenyl)ethyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 8665564
1-methoxy-4-nitro-2-[(1S)-1-(3-nitrophenyl)ethoxy]benzene
CID 9356044
trichloro-[(1S)-1-(3-nitrophenyl)ethyl]silane
CID 10636842

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-fluorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine?
The IUPAC name of (Z)-1-(3-fluorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine (CID 9354689) is (Z)-1-(3-fluorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine.
What is the SMILES notation for (Z)-1-(3-fluorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine?
The canonical SMILES for (Z)-1-(3-fluorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine is C[C@@H](O/N=C\c1cccc(F)c1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of (Z)-1-(3-fluorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine?
The InChIKey is RJFKZOJTWSMZGO-VBYYMIJXSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-11(13-5-3-7-15(9-13)18(19)20)21-17-10-12-4-2-6-14(16)8-12/h2-11H,1H3/b17-10-/t11-/m1/s1.
What are the key properties of (Z)-1-(3-fluorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine?
(Z)-1-(3-fluorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine has a molecular weight of 288.28 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-fluorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine is sourced from PubChem (CID 9354689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).