2,4-difluoro-6-(2-methoxyethoxy)aniline

C9H11F2NO2 — CID 115507275

IUPAC2,4-difluoro-6-(2-methoxyethoxy)aniline
SMILESCOCCOc1cc(F)cc(F)c1N
InChIInChI=1S/C9H11F2NO2/c1-13-2-3-14-8-5-6(10)4-7(11)9(8)12/h4-5H,2-3,12H2,1H3
InChIKeyXCBVUVNAWHBZSA-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.57
Rot. Bonds4

About 2,4-difluoro-6-(2-methoxyethoxy)aniline

2,4-difluoro-6-(2-methoxyethoxy)aniline (PubChem CID 115507275) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is 2,4-difluoro-6-(2-methoxyethoxy)aniline.

Molecular Properties

Compound Name2,4-difluoro-6-(2-methoxyethoxy)aniline
PubChem CID115507275
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name2,4-difluoro-6-(2-methoxyethoxy)aniline
SMILESCOCCOc1cc(F)cc(F)c1N
InChIInChI=1S/C9H11F2NO2/c1-13-2-3-14-8-5-6(10)4-7(11)9(8)12/h4-5H,2-3,12H2,1H3
InChIKeyXCBVUVNAWHBZSA-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
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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Related Compounds

2-(2-amino-3,5-difluorophenoxy)ethanol
CID 115507300
2-chloro-1,5-difluoro-3-(4-methoxybutoxy)benzene
CID 59339533
3,6-difluoro-5-(2-methoxyethoxy)pyridin-2-amine
CID 135201532
5,6-difluoro-3-(2-methoxyethoxy)pyridin-2-amine
CID 175409325
2-chloro-4-fluoro-6-[2-(2-methoxyethoxy)phenyl]aniline
CID 107615999
2,4-difluoro-6-(furan-2-ylmethoxy)aniline
CID 115507233
4-ethoxy-5-fluoro-2-(2-methoxyethoxy)aniline
CID 63593955
5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline
CID 104559855
4-fluoro-2-(2-methoxyethoxy)-1-propan-2-ylbenzene
CID 167302497
2,4-difluoro-6-(2-methoxyphenoxy)aniline
CID 115507261
7-fluoro-5-(2-methoxyethoxy)-3H-quinazolin-4-one
CID 136951729
2-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine
CID 107692598

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-(2-methoxyethoxy)aniline?
The IUPAC name of 2,4-difluoro-6-(2-methoxyethoxy)aniline (CID 115507275) is 2,4-difluoro-6-(2-methoxyethoxy)aniline.
What is the SMILES notation for 2,4-difluoro-6-(2-methoxyethoxy)aniline?
The canonical SMILES for 2,4-difluoro-6-(2-methoxyethoxy)aniline is COCCOc1cc(F)cc(F)c1N.
What is the InChIKey of 2,4-difluoro-6-(2-methoxyethoxy)aniline?
The InChIKey is XCBVUVNAWHBZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c1-13-2-3-14-8-5-6(10)4-7(11)9(8)12/h4-5H,2-3,12H2,1H3.
What are the key properties of 2,4-difluoro-6-(2-methoxyethoxy)aniline?
2,4-difluoro-6-(2-methoxyethoxy)aniline has a molecular weight of 203.19 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-(2-methoxyethoxy)aniline is sourced from PubChem (CID 115507275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).