4-[2-(2-chloro-3-fluoro-5-nitrophenoxy)ethyl]morpholine

C12H14ClFN2O4 — CID 118961391

IUPAC4-[2-(2-chloro-3-fluoro-5-nitrophenoxy)ethyl]morpholine
SMILESO=[N+]([O-])c1cc(F)c(Cl)c(OCCN2CCOCC2)c1
InChIInChI=1S/C12H14ClFN2O4/c13-12-10(14)7-9(16(17)18)8-11(12)20-6-3-15-1-4-19-5-2-15/h7-8H,1-6H2
InChIKeyGRALFUKJUJQXMU-UHFFFAOYSA-N
MW304.70 g/mol
LogP2.10
Rot. Bonds5

About 4-[2-(2-chloro-3-fluoro-5-nitrophenoxy)ethyl]morpholine

4-[2-(2-chloro-3-fluoro-5-nitrophenoxy)ethyl]morpholine (PubChem CID 118961391) has the molecular formula C12H14ClFN2O4 and a molecular weight of 304.70 g/mol. Its IUPAC name is 4-[2-(2-chloro-3-fluoro-5-nitrophenoxy)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(2-chloro-3-fluoro-5-nitrophenoxy)ethyl]morpholine
PubChem CID118961391
Molecular FormulaC12H14ClFN2O4
Molecular Weight304.70 g/mol
Exact Mass304.06
IUPAC Name4-[2-(2-chloro-3-fluoro-5-nitrophenoxy)ethyl]morpholine
SMILESO=[N+]([O-])c1cc(F)c(Cl)c(OCCN2CCOCC2)c1
InChIInChI=1S/C12H14ClFN2O4/c13-12-10(14)7-9(16(17)18)8-11(12)20-6-3-15-1-4-19-5-2-15/h7-8H,1-6H2
InChIKeyGRALFUKJUJQXMU-UHFFFAOYSA-N
XLogP2.10
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.70
LogP ≤ 52.10
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloro-3-fluoro-5-nitrophenoxy)ethyl]morpholine?
The IUPAC name of 4-[2-(2-chloro-3-fluoro-5-nitrophenoxy)ethyl]morpholine (CID 118961391) is 4-[2-(2-chloro-3-fluoro-5-nitrophenoxy)ethyl]morpholine.
What is the SMILES notation for 4-[2-(2-chloro-3-fluoro-5-nitrophenoxy)ethyl]morpholine?
The canonical SMILES for 4-[2-(2-chloro-3-fluoro-5-nitrophenoxy)ethyl]morpholine is O=[N+]([O-])c1cc(F)c(Cl)c(OCCN2CCOCC2)c1.
What is the InChIKey of 4-[2-(2-chloro-3-fluoro-5-nitrophenoxy)ethyl]morpholine?
The InChIKey is GRALFUKJUJQXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O4/c13-12-10(14)7-9(16(17)18)8-11(12)20-6-3-15-1-4-19-5-2-15/h7-8H,1-6H2.
What are the key properties of 4-[2-(2-chloro-3-fluoro-5-nitrophenoxy)ethyl]morpholine?
4-[2-(2-chloro-3-fluoro-5-nitrophenoxy)ethyl]morpholine has a molecular weight of 304.70 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloro-3-fluoro-5-nitrophenoxy)ethyl]morpholine is sourced from PubChem (CID 118961391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).