4-ethoxy-5-fluorobenzene-1,2-diamine

C8H11FN2O — CID 22477734

IUPAC4-ethoxy-5-fluorobenzene-1,2-diamine
SMILESCCOc1cc(N)c(N)cc1F
InChIInChI=1S/C8H11FN2O/c1-2-12-8-4-7(11)6(10)3-5(8)9/h3-4H,2,10-11H2,1H3
InChIKeyQWUCTEJLCFRXJF-UHFFFAOYSA-N
MW170.19 g/mol
LogP1.39
Rot. Bonds2

About 4-ethoxy-5-fluorobenzene-1,2-diamine

4-ethoxy-5-fluorobenzene-1,2-diamine (PubChem CID 22477734) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 4-ethoxy-5-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name4-ethoxy-5-fluorobenzene-1,2-diamine
PubChem CID22477734
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name4-ethoxy-5-fluorobenzene-1,2-diamine
SMILESCCOc1cc(N)c(N)cc1F
InChIInChI=1S/C8H11FN2O/c1-2-12-8-4-7(11)6(10)3-5(8)9/h3-4H,2,10-11H2,1H3
InChIKeyQWUCTEJLCFRXJF-UHFFFAOYSA-N
XLogP1.39
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.39
H-Bond Donors ≤ 52
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 4-ethoxy-5-fluorobenzene-1,2-diamine?
The IUPAC name of 4-ethoxy-5-fluorobenzene-1,2-diamine (CID 22477734) is 4-ethoxy-5-fluorobenzene-1,2-diamine.
What is the SMILES notation for 4-ethoxy-5-fluorobenzene-1,2-diamine?
The canonical SMILES for 4-ethoxy-5-fluorobenzene-1,2-diamine is CCOc1cc(N)c(N)cc1F.
What is the InChIKey of 4-ethoxy-5-fluorobenzene-1,2-diamine?
The InChIKey is QWUCTEJLCFRXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-2-12-8-4-7(11)6(10)3-5(8)9/h3-4H,2,10-11H2,1H3.
What are the key properties of 4-ethoxy-5-fluorobenzene-1,2-diamine?
4-ethoxy-5-fluorobenzene-1,2-diamine has a molecular weight of 170.19 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-fluorobenzene-1,2-diamine is sourced from PubChem (CID 22477734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).