1-chloro-2-fluoro-4-[2-(4-nitrophenyl)ethoxy]benzene

C14H11ClFNO3 — CID 82727336

IUPAC1-chloro-2-fluoro-4-[2-(4-nitrophenyl)ethoxy]benzene
SMILESO=[N+]([O-])c1ccc(CCOc2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C14H11ClFNO3/c15-13-6-5-12(9-14(13)16)20-8-7-10-1-3-11(4-2-10)17(18)19/h1-6,9H,7-8H2
InChIKeyXJOFEFZFMZAPRQ-UHFFFAOYSA-N
MW295.70 g/mol
LogP4.01
Rot. Bonds5

About 1-chloro-2-fluoro-4-[2-(4-nitrophenyl)ethoxy]benzene

1-chloro-2-fluoro-4-[2-(4-nitrophenyl)ethoxy]benzene (PubChem CID 82727336) has the molecular formula C14H11ClFNO3 and a molecular weight of 295.70 g/mol. Its IUPAC name is 1-chloro-2-fluoro-4-[2-(4-nitrophenyl)ethoxy]benzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-4-[2-(4-nitrophenyl)ethoxy]benzene
PubChem CID82727336
Molecular FormulaC14H11ClFNO3
Molecular Weight295.70 g/mol
Exact Mass295.04
IUPAC Name1-chloro-2-fluoro-4-[2-(4-nitrophenyl)ethoxy]benzene
SMILESO=[N+]([O-])c1ccc(CCOc2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C14H11ClFNO3/c15-13-6-5-12(9-14(13)16)20-8-7-10-1-3-11(4-2-10)17(18)19/h1-6,9H,7-8H2
InChIKeyXJOFEFZFMZAPRQ-UHFFFAOYSA-N
XLogP4.01
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-4-[2-(4-nitrophenyl)ethoxy]benzene?
The IUPAC name of 1-chloro-2-fluoro-4-[2-(4-nitrophenyl)ethoxy]benzene (CID 82727336) is 1-chloro-2-fluoro-4-[2-(4-nitrophenyl)ethoxy]benzene.
What is the SMILES notation for 1-chloro-2-fluoro-4-[2-(4-nitrophenyl)ethoxy]benzene?
The canonical SMILES for 1-chloro-2-fluoro-4-[2-(4-nitrophenyl)ethoxy]benzene is O=[N+]([O-])c1ccc(CCOc2ccc(Cl)c(F)c2)cc1.
What is the InChIKey of 1-chloro-2-fluoro-4-[2-(4-nitrophenyl)ethoxy]benzene?
The InChIKey is XJOFEFZFMZAPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO3/c15-13-6-5-12(9-14(13)16)20-8-7-10-1-3-11(4-2-10)17(18)19/h1-6,9H,7-8H2.
What are the key properties of 1-chloro-2-fluoro-4-[2-(4-nitrophenyl)ethoxy]benzene?
1-chloro-2-fluoro-4-[2-(4-nitrophenyl)ethoxy]benzene has a molecular weight of 295.70 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-4-[2-(4-nitrophenyl)ethoxy]benzene is sourced from PubChem (CID 82727336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).