4-fluoro-2-(2-methoxyethoxy)aniline

C9H12FNO2 — CID 18069889

IUPAC4-fluoro-2-(2-methoxyethoxy)aniline
SMILESCOCCOc1cc(F)ccc1N
InChIInChI=1S/C9H12FNO2/c1-12-4-5-13-9-6-7(10)2-3-8(9)11/h2-3,6H,4-5,11H2,1H3
InChIKeyFJGFYMDUPBPMCH-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.43
Rot. Bonds4

About 4-fluoro-2-(2-methoxyethoxy)aniline

4-fluoro-2-(2-methoxyethoxy)aniline (PubChem CID 18069889) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 4-fluoro-2-(2-methoxyethoxy)aniline.

Molecular Properties

Compound Name4-fluoro-2-(2-methoxyethoxy)aniline
PubChem CID18069889
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name4-fluoro-2-(2-methoxyethoxy)aniline
SMILESCOCCOc1cc(F)ccc1N
InChIInChI=1S/C9H12FNO2/c1-12-4-5-13-9-6-7(10)2-3-8(9)11/h2-3,6H,4-5,11H2,1H3
InChIKeyFJGFYMDUPBPMCH-UHFFFAOYSA-N
XLogP1.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-fluoro-2-(2-methoxyethoxy)aniline?
The IUPAC name of 4-fluoro-2-(2-methoxyethoxy)aniline (CID 18069889) is 4-fluoro-2-(2-methoxyethoxy)aniline.
What is the SMILES notation for 4-fluoro-2-(2-methoxyethoxy)aniline?
The canonical SMILES for 4-fluoro-2-(2-methoxyethoxy)aniline is COCCOc1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-(2-methoxyethoxy)aniline?
The InChIKey is FJGFYMDUPBPMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-12-4-5-13-9-6-7(10)2-3-8(9)11/h2-3,6H,4-5,11H2,1H3.
What are the key properties of 4-fluoro-2-(2-methoxyethoxy)aniline?
4-fluoro-2-(2-methoxyethoxy)aniline has a molecular weight of 185.20 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-methoxyethoxy)aniline is sourced from PubChem (CID 18069889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).