5-[[2,3-difluoro-6-(2-methoxyethoxy)phenyl]methoxy]-2-fluoro-4-methoxyaniline

C17H18F3NO4 — CID 58021957

IUPAC5-[[2,3-difluoro-6-(2-methoxyethoxy)phenyl]methoxy]-2-fluoro-4-methoxyaniline
SMILESCOCCOc1ccc(F)c(F)c1COc1cc(N)c(F)cc1OC
InChIInChI=1S/C17H18F3NO4/c1-22-5-6-24-14-4-3-11(18)17(20)10(14)9-25-16-8-13(21)12(19)7-15(16)23-2/h3-4,7-8H,5-6,9,21H2,1-2H3
InChIKeyROZVUVFMCZIENE-UHFFFAOYSA-N
MW357.33 g/mol
LogP3.30
Rot. Bonds8

About 5-[[2,3-difluoro-6-(2-methoxyethoxy)phenyl]methoxy]-2-fluoro-4-methoxyaniline

5-[[2,3-difluoro-6-(2-methoxyethoxy)phenyl]methoxy]-2-fluoro-4-methoxyaniline (PubChem CID 58021957) has the molecular formula C17H18F3NO4 and a molecular weight of 357.33 g/mol. Its IUPAC name is 5-[[2,3-difluoro-6-(2-methoxyethoxy)phenyl]methoxy]-2-fluoro-4-methoxyaniline.

Molecular Properties

Compound Name5-[[2,3-difluoro-6-(2-methoxyethoxy)phenyl]methoxy]-2-fluoro-4-methoxyaniline
PubChem CID58021957
Molecular FormulaC17H18F3NO4
Molecular Weight357.33 g/mol
Exact Mass357.12
IUPAC Name5-[[2,3-difluoro-6-(2-methoxyethoxy)phenyl]methoxy]-2-fluoro-4-methoxyaniline
SMILESCOCCOc1ccc(F)c(F)c1COc1cc(N)c(F)cc1OC
InChIInChI=1S/C17H18F3NO4/c1-22-5-6-24-14-4-3-11(18)17(20)10(14)9-25-16-8-13(21)12(19)7-15(16)23-2/h3-4,7-8H,5-6,9,21H2,1-2H3
InChIKeyROZVUVFMCZIENE-UHFFFAOYSA-N
XLogP3.30
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[2,3-difluoro-6-(2-methoxyethoxy)phenyl]methoxy]-2-fluoro-4-methoxyaniline?
The IUPAC name of 5-[[2,3-difluoro-6-(2-methoxyethoxy)phenyl]methoxy]-2-fluoro-4-methoxyaniline (CID 58021957) is 5-[[2,3-difluoro-6-(2-methoxyethoxy)phenyl]methoxy]-2-fluoro-4-methoxyaniline.
What is the SMILES notation for 5-[[2,3-difluoro-6-(2-methoxyethoxy)phenyl]methoxy]-2-fluoro-4-methoxyaniline?
The canonical SMILES for 5-[[2,3-difluoro-6-(2-methoxyethoxy)phenyl]methoxy]-2-fluoro-4-methoxyaniline is COCCOc1ccc(F)c(F)c1COc1cc(N)c(F)cc1OC.
What is the InChIKey of 5-[[2,3-difluoro-6-(2-methoxyethoxy)phenyl]methoxy]-2-fluoro-4-methoxyaniline?
The InChIKey is ROZVUVFMCZIENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO4/c1-22-5-6-24-14-4-3-11(18)17(20)10(14)9-25-16-8-13(21)12(19)7-15(16)23-2/h3-4,7-8H,5-6,9,21H2,1-2H3.
What are the key properties of 5-[[2,3-difluoro-6-(2-methoxyethoxy)phenyl]methoxy]-2-fluoro-4-methoxyaniline?
5-[[2,3-difluoro-6-(2-methoxyethoxy)phenyl]methoxy]-2-fluoro-4-methoxyaniline has a molecular weight of 357.33 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,3-difluoro-6-(2-methoxyethoxy)phenyl]methoxy]-2-fluoro-4-methoxyaniline is sourced from PubChem (CID 58021957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).