4-(difluoromethoxy)-3-ethoxyaniline

C9H11F2NO2 — CID 7017450

IUPAC4-(difluoromethoxy)-3-ethoxyaniline
SMILESCCOc1cc(N)ccc1OC(F)F
InChIInChI=1S/C9H11F2NO2/c1-2-13-8-5-6(12)3-4-7(8)14-9(10)11/h3-5,9H,2,12H2,1H3
InChIKeyVHQPLOXJAZUAOY-UHFFFAOYSA-N
MW203.19 g/mol
LogP2.27
Rot. Bonds4

About 4-(difluoromethoxy)-3-ethoxyaniline

4-(difluoromethoxy)-3-ethoxyaniline (PubChem CID 7017450) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-ethoxyaniline.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-ethoxyaniline
PubChem CID7017450
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name4-(difluoromethoxy)-3-ethoxyaniline
SMILESCCOc1cc(N)ccc1OC(F)F
InChIInChI=1S/C9H11F2NO2/c1-2-13-8-5-6(12)3-4-7(8)14-9(10)11/h3-5,9H,2,12H2,1H3
InChIKeyVHQPLOXJAZUAOY-UHFFFAOYSA-N
XLogP2.27
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 52.27
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 4-(difluoromethoxy)-3-ethoxyaniline?
The IUPAC name of 4-(difluoromethoxy)-3-ethoxyaniline (CID 7017450) is 4-(difluoromethoxy)-3-ethoxyaniline.
What is the SMILES notation for 4-(difluoromethoxy)-3-ethoxyaniline?
The canonical SMILES for 4-(difluoromethoxy)-3-ethoxyaniline is CCOc1cc(N)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-ethoxyaniline?
The InChIKey is VHQPLOXJAZUAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c1-2-13-8-5-6(12)3-4-7(8)14-9(10)11/h3-5,9H,2,12H2,1H3.
What are the key properties of 4-(difluoromethoxy)-3-ethoxyaniline?
4-(difluoromethoxy)-3-ethoxyaniline has a molecular weight of 203.19 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-ethoxyaniline is sourced from PubChem (CID 7017450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).