5-ethoxy-2-fluoro-3-methoxyaniline

C9H12FNO2 — CID 18444819

IUPAC5-ethoxy-2-fluoro-3-methoxyaniline
SMILESCCOc1cc(N)c(F)c(OC)c1
InChIInChI=1S/C9H12FNO2/c1-3-13-6-4-7(11)9(10)8(5-6)12-2/h4-5H,3,11H2,1-2H3
InChIKeyIQRZSWQOINFULM-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.82
Rot. Bonds3

About 5-ethoxy-2-fluoro-3-methoxyaniline

5-ethoxy-2-fluoro-3-methoxyaniline (PubChem CID 18444819) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 5-ethoxy-2-fluoro-3-methoxyaniline.

Molecular Properties

Compound Name5-ethoxy-2-fluoro-3-methoxyaniline
PubChem CID18444819
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name5-ethoxy-2-fluoro-3-methoxyaniline
SMILESCCOc1cc(N)c(F)c(OC)c1
InChIInChI=1S/C9H12FNO2/c1-3-13-6-4-7(11)9(10)8(5-6)12-2/h4-5H,3,11H2,1-2H3
InChIKeyIQRZSWQOINFULM-UHFFFAOYSA-N
XLogP1.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethoxy-2-fluoro-3-methoxyaniline?
The IUPAC name of 5-ethoxy-2-fluoro-3-methoxyaniline (CID 18444819) is 5-ethoxy-2-fluoro-3-methoxyaniline.
What is the SMILES notation for 5-ethoxy-2-fluoro-3-methoxyaniline?
The canonical SMILES for 5-ethoxy-2-fluoro-3-methoxyaniline is CCOc1cc(N)c(F)c(OC)c1.
What is the InChIKey of 5-ethoxy-2-fluoro-3-methoxyaniline?
The InChIKey is IQRZSWQOINFULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-3-13-6-4-7(11)9(10)8(5-6)12-2/h4-5H,3,11H2,1-2H3.
What are the key properties of 5-ethoxy-2-fluoro-3-methoxyaniline?
5-ethoxy-2-fluoro-3-methoxyaniline has a molecular weight of 185.20 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-fluoro-3-methoxyaniline is sourced from PubChem (CID 18444819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).