2-[2-(6-amino-2,3-difluorophenoxy)ethoxy]-3,4-difluoroaniline

C14H12F4N2O2 — CID 10358364

IUPAC2-[2-(6-amino-2,3-difluorophenoxy)ethoxy]-3,4-difluoroaniline
SMILESNc1ccc(F)c(F)c1OCCOc1c(N)ccc(F)c1F
InChIInChI=1S/C14H12F4N2O2/c15-7-1-3-9(19)13(11(7)17)21-5-6-22-14-10(20)4-2-8(16)12(14)18/h1-4H,5-6,19-20H2
InChIKeyAIXFFPGCEOZYJI-UHFFFAOYSA-N
MW316.25 g/mol
LogP2.87
Rot. Bonds5

About 2-[2-(6-amino-2,3-difluorophenoxy)ethoxy]-3,4-difluoroaniline

2-[2-(6-amino-2,3-difluorophenoxy)ethoxy]-3,4-difluoroaniline (PubChem CID 10358364) has the molecular formula C14H12F4N2O2 and a molecular weight of 316.25 g/mol. Its IUPAC name is 2-[2-(6-amino-2,3-difluorophenoxy)ethoxy]-3,4-difluoroaniline.

Molecular Properties

Compound Name2-[2-(6-amino-2,3-difluorophenoxy)ethoxy]-3,4-difluoroaniline
PubChem CID10358364
Molecular FormulaC14H12F4N2O2
Molecular Weight316.25 g/mol
Exact Mass316.08
IUPAC Name2-[2-(6-amino-2,3-difluorophenoxy)ethoxy]-3,4-difluoroaniline
SMILESNc1ccc(F)c(F)c1OCCOc1c(N)ccc(F)c1F
InChIInChI=1S/C14H12F4N2O2/c15-7-1-3-9(19)13(11(7)17)21-5-6-22-14-10(20)4-2-8(16)12(14)18/h1-4H,5-6,19-20H2
InChIKeyAIXFFPGCEOZYJI-UHFFFAOYSA-N
XLogP2.87
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-[2-(6-amino-2,3-difluorophenoxy)ethoxy]-3,4-difluoroaniline?
The IUPAC name of 2-[2-(6-amino-2,3-difluorophenoxy)ethoxy]-3,4-difluoroaniline (CID 10358364) is 2-[2-(6-amino-2,3-difluorophenoxy)ethoxy]-3,4-difluoroaniline.
What is the SMILES notation for 2-[2-(6-amino-2,3-difluorophenoxy)ethoxy]-3,4-difluoroaniline?
The canonical SMILES for 2-[2-(6-amino-2,3-difluorophenoxy)ethoxy]-3,4-difluoroaniline is Nc1ccc(F)c(F)c1OCCOc1c(N)ccc(F)c1F.
What is the InChIKey of 2-[2-(6-amino-2,3-difluorophenoxy)ethoxy]-3,4-difluoroaniline?
The InChIKey is AIXFFPGCEOZYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2O2/c15-7-1-3-9(19)13(11(7)17)21-5-6-22-14-10(20)4-2-8(16)12(14)18/h1-4H,5-6,19-20H2.
What are the key properties of 2-[2-(6-amino-2,3-difluorophenoxy)ethoxy]-3,4-difluoroaniline?
2-[2-(6-amino-2,3-difluorophenoxy)ethoxy]-3,4-difluoroaniline has a molecular weight of 316.25 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-amino-2,3-difluorophenoxy)ethoxy]-3,4-difluoroaniline is sourced from PubChem (CID 10358364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).