2-fluoro-4-(2-fluoroethoxy)-5-methoxyaniline

C9H11F2NO2 — CID 171649993

IUPAC2-fluoro-4-(2-fluoroethoxy)-5-methoxyaniline
SMILESCOc1cc(N)c(F)cc1OCCF
InChIInChI=1S/C9H11F2NO2/c1-13-8-5-7(12)6(11)4-9(8)14-3-2-10/h4-5H,2-3,12H2,1H3
InChIKeyYDGRSTFDXDHCPR-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.76
Rot. Bonds4

About 2-fluoro-4-(2-fluoroethoxy)-5-methoxyaniline

2-fluoro-4-(2-fluoroethoxy)-5-methoxyaniline (PubChem CID 171649993) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is 2-fluoro-4-(2-fluoroethoxy)-5-methoxyaniline.

Molecular Properties

Compound Name2-fluoro-4-(2-fluoroethoxy)-5-methoxyaniline
PubChem CID171649993
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name2-fluoro-4-(2-fluoroethoxy)-5-methoxyaniline
SMILESCOc1cc(N)c(F)cc1OCCF
InChIInChI=1S/C9H11F2NO2/c1-13-8-5-7(12)6(11)4-9(8)14-3-2-10/h4-5H,2-3,12H2,1H3
InChIKeyYDGRSTFDXDHCPR-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
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 2-fluoro-4-(2-fluoroethoxy)-5-methoxyaniline?
The IUPAC name of 2-fluoro-4-(2-fluoroethoxy)-5-methoxyaniline (CID 171649993) is 2-fluoro-4-(2-fluoroethoxy)-5-methoxyaniline.
What is the SMILES notation for 2-fluoro-4-(2-fluoroethoxy)-5-methoxyaniline?
The canonical SMILES for 2-fluoro-4-(2-fluoroethoxy)-5-methoxyaniline is COc1cc(N)c(F)cc1OCCF.
What is the InChIKey of 2-fluoro-4-(2-fluoroethoxy)-5-methoxyaniline?
The InChIKey is YDGRSTFDXDHCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c1-13-8-5-7(12)6(11)4-9(8)14-3-2-10/h4-5H,2-3,12H2,1H3.
What are the key properties of 2-fluoro-4-(2-fluoroethoxy)-5-methoxyaniline?
2-fluoro-4-(2-fluoroethoxy)-5-methoxyaniline has a molecular weight of 203.19 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-fluoroethoxy)-5-methoxyaniline is sourced from PubChem (CID 171649993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).