4-fluoro-2-iodo-N-(2-methoxyethyl)aniline

C9H11FINO — CID 79769085

IUPAC4-fluoro-2-iodo-N-(2-methoxyethyl)aniline
SMILESCOCCNc1ccc(F)cc1I
InChIInChI=1S/C9H11FINO/c1-13-5-4-12-9-3-2-7(10)6-8(9)11/h2-3,6,12H,4-5H2,1H3
InChIKeyGLWFJLLGPSTPRT-UHFFFAOYSA-N
MW295.10 g/mol
LogP2.49
Rot. Bonds4

About 4-fluoro-2-iodo-N-(2-methoxyethyl)aniline

4-fluoro-2-iodo-N-(2-methoxyethyl)aniline (PubChem CID 79769085) has the molecular formula C9H11FINO and a molecular weight of 295.10 g/mol. Its IUPAC name is 4-fluoro-2-iodo-N-(2-methoxyethyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-iodo-N-(2-methoxyethyl)aniline
PubChem CID79769085
Molecular FormulaC9H11FINO
Molecular Weight295.10 g/mol
Exact Mass294.99
IUPAC Name4-fluoro-2-iodo-N-(2-methoxyethyl)aniline
SMILESCOCCNc1ccc(F)cc1I
InChIInChI=1S/C9H11FINO/c1-13-5-4-12-9-3-2-7(10)6-8(9)11/h2-3,6,12H,4-5H2,1H3
InChIKeyGLWFJLLGPSTPRT-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.10
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-iodo-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409573
2,5-difluoro-N-(2-methoxyethyl)aniline
CID 28574542
N-(3-ethoxypropyl)-4-fluoro-2-iodoaniline
CID 79769660
2-bromo-5-fluoro-N-(2-methoxyethyl)aniline
CID 107635967
2-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)aniline
CID 95441473
N-[2-(3-bromophenoxy)ethyl]-4-fluoro-2-iodoaniline
CID 79769430
2,4-difluoro-N-(4-methoxybutyl)aniline
CID 115776867
N-(4-fluoro-2-iodophenyl)-2-(2-methoxyethoxy)acetamide
CID 103737178
4-fluoro-2-iodo-N-(2-phenylsulfanylethyl)aniline
CID 79769087
5-fluoro-2-(2-methoxyethylamino)benzenecarboximidamide
CID 63669341
2-[[5-fluoro-2-(2-methoxyethylamino)anilino]methylidene]propanedinitrile
CID 168543825
N-(4-fluoro-2-iodophenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106962825

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-N-(2-methoxyethyl)aniline?
The IUPAC name of 4-fluoro-2-iodo-N-(2-methoxyethyl)aniline (CID 79769085) is 4-fluoro-2-iodo-N-(2-methoxyethyl)aniline.
What is the SMILES notation for 4-fluoro-2-iodo-N-(2-methoxyethyl)aniline?
The canonical SMILES for 4-fluoro-2-iodo-N-(2-methoxyethyl)aniline is COCCNc1ccc(F)cc1I.
What is the InChIKey of 4-fluoro-2-iodo-N-(2-methoxyethyl)aniline?
The InChIKey is GLWFJLLGPSTPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FINO/c1-13-5-4-12-9-3-2-7(10)6-8(9)11/h2-3,6,12H,4-5H2,1H3.
What are the key properties of 4-fluoro-2-iodo-N-(2-methoxyethyl)aniline?
4-fluoro-2-iodo-N-(2-methoxyethyl)aniline has a molecular weight of 295.10 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodo-N-(2-methoxyethyl)aniline is sourced from PubChem (CID 79769085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).