2-(2-fluoroethoxy)-1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene

C16H13FN2O5 — CID 130408456

IUPAC2-(2-fluoroethoxy)-1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene
SMILESO=[N+]([O-])c1ccc(/C=C/c2ccc([N+](=O)[O-])c(OCCF)c2)cc1
InChIInChI=1S/C16H13FN2O5/c17-9-10-24-16-11-13(5-8-15(16)19(22)23)2-1-12-3-6-14(7-4-12)18(20)21/h1-8,11H,9-10H2/b2-1+
InChIKeyWUCZEUTVRVZXDO-OWOJBTEDSA-N
MW332.29 g/mol
LogP4.02
Rot. Bonds7

About 2-(2-fluoroethoxy)-1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene

2-(2-fluoroethoxy)-1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene (PubChem CID 130408456) has the molecular formula C16H13FN2O5 and a molecular weight of 332.29 g/mol. Its IUPAC name is 2-(2-fluoroethoxy)-1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene.

Molecular Properties

Compound Name2-(2-fluoroethoxy)-1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene
PubChem CID130408456
Molecular FormulaC16H13FN2O5
Molecular Weight332.29 g/mol
Exact Mass332.08
IUPAC Name2-(2-fluoroethoxy)-1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene
SMILESO=[N+]([O-])c1ccc(/C=C/c2ccc([N+](=O)[O-])c(OCCF)c2)cc1
InChIInChI=1S/C16H13FN2O5/c17-9-10-24-16-11-13(5-8-15(16)19(22)23)2-1-12-3-6-14(7-4-12)18(20)21/h1-8,11H,9-10H2/b2-1+
InChIKeyWUCZEUTVRVZXDO-OWOJBTEDSA-N
XLogP4.02
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 2-(2-fluoroethoxy)-1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-hydroxyethoxy)-4-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]ethanol
CID 101005092
(E)-3-[4-(2-fluoroethoxy)-3-nitrophenyl]prop-2-enoic acid
CID 80694288
3-(3-hydroxypropoxy)-4-nitrobenzaldehyde
CID 62115712
3-[2-[2-(5-formyl-2-nitrophenoxy)ethoxy]ethoxy]-4-nitrobenzaldehyde
CID 102336547
3-[3-[3-(methylamino)-3-oxopropoxy]-4-nitrophenyl]prop-2-enoic acid
CID 76939815
3-[2-(2-hydroxyethoxy)ethoxy]-4-nitrobenzaldehyde
CID 62114322
2-(2-fluoroethoxy)-4-nitrobenzonitrile
CID 118262727
1,2,3,4,5-pentabromo-6-[[4-[(E)-2-(4-nitrophenyl)ethenyl]-2-[(2,3,4,5,6-pentabromophenyl)methoxy]phenoxy]methyl]benzene
CID 102193174
[2-(2-fluoroethoxy)-5-nitrophenyl]methanol
CID 80695743
4-nitro-3-(4-nitrophenoxy)benzaldehyde
CID 133447393
3-hexoxy-4-nitrobenzaldehyde
CID 62115715
1,2-bis(methoxymethoxy)-4-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]benzene
CID 87641751

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethoxy)-1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene?
The IUPAC name of 2-(2-fluoroethoxy)-1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene (CID 130408456) is 2-(2-fluoroethoxy)-1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene.
What is the SMILES notation for 2-(2-fluoroethoxy)-1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene?
The canonical SMILES for 2-(2-fluoroethoxy)-1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene is O=[N+]([O-])c1ccc(/C=C/c2ccc([N+](=O)[O-])c(OCCF)c2)cc1.
What is the InChIKey of 2-(2-fluoroethoxy)-1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene?
The InChIKey is WUCZEUTVRVZXDO-OWOJBTEDSA-N. The full InChI is InChI=1S/C16H13FN2O5/c17-9-10-24-16-11-13(5-8-15(16)19(22)23)2-1-12-3-6-14(7-4-12)18(20)21/h1-8,11H,9-10H2/b2-1+.
What are the key properties of 2-(2-fluoroethoxy)-1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene?
2-(2-fluoroethoxy)-1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene has a molecular weight of 332.29 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethoxy)-1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene is sourced from PubChem (CID 130408456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).