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

C15H14F3NO3 — CID 58022228

IUPAC5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyaniline
SMILESCOc1cc(F)c(N)cc1OCc1c(OC)ccc(F)c1F
InChIInChI=1S/C15H14F3NO3/c1-20-12-4-3-9(16)15(18)8(12)7-22-14-6-11(19)10(17)5-13(14)21-2/h3-6H,7,19H2,1-2H3
InChIKeyCLVGARLNAPOYQB-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.28
Rot. Bonds5

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

5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyaniline (PubChem CID 58022228) has the molecular formula C15H14F3NO3 and a molecular weight of 313.28 g/mol. Its IUPAC name is 5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyaniline.

Molecular Properties

Compound Name5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyaniline
PubChem CID58022228
Molecular FormulaC15H14F3NO3
Molecular Weight313.28 g/mol
Exact Mass313.09
IUPAC Name5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyaniline
SMILESCOc1cc(F)c(N)cc1OCc1c(OC)ccc(F)c1F
InChIInChI=1S/C15H14F3NO3/c1-20-12-4-3-9(16)15(18)8(12)7-22-14-6-11(19)10(17)5-13(14)21-2/h3-6H,7,19H2,1-2H3
InChIKeyCLVGARLNAPOYQB-UHFFFAOYSA-N
XLogP3.28
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyaniline?
The IUPAC name of 5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyaniline (CID 58022228) is 5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyaniline.
What is the SMILES notation for 5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyaniline?
The canonical SMILES for 5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyaniline is COc1cc(F)c(N)cc1OCc1c(OC)ccc(F)c1F.
What is the InChIKey of 5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyaniline?
The InChIKey is CLVGARLNAPOYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO3/c1-20-12-4-3-9(16)15(18)8(12)7-22-14-6-11(19)10(17)5-13(14)21-2/h3-6H,7,19H2,1-2H3.
What are the key properties of 5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyaniline?
5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyaniline has a molecular weight of 313.28 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyaniline is sourced from PubChem (CID 58022228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).