5-fluoro-4-iodo-2-methoxyaniline

C7H7FINO — CID 131593338

IUPAC5-fluoro-4-iodo-2-methoxyaniline
SMILESCOc1cc(I)c(F)cc1N
InChIInChI=1S/C7H7FINO/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3H,10H2,1H3
InChIKeyDTZYMHBYXPNKPO-UHFFFAOYSA-N
MW267.04 g/mol
LogP2.02
Rot. Bonds1

About 5-fluoro-4-iodo-2-methoxyaniline

5-fluoro-4-iodo-2-methoxyaniline (PubChem CID 131593338) has the molecular formula C7H7FINO and a molecular weight of 267.04 g/mol. Its IUPAC name is 5-fluoro-4-iodo-2-methoxyaniline.

Molecular Properties

Compound Name5-fluoro-4-iodo-2-methoxyaniline
PubChem CID131593338
Molecular FormulaC7H7FINO
Molecular Weight267.04 g/mol
Exact Mass266.96
IUPAC Name5-fluoro-4-iodo-2-methoxyaniline
SMILESCOc1cc(I)c(F)cc1N
InChIInChI=1S/C7H7FINO/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3H,10H2,1H3
InChIKeyDTZYMHBYXPNKPO-UHFFFAOYSA-N
XLogP2.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.04
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258755
sodium;4-bromo-5-fluoro-2-methoxyaniline;hydride
CID 175500910
1-chloro-5-fluoro-4-iodo-2-methoxybenzene
CID 22625607
4-(4-amino-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxyaniline
CID 141296455
2-fluoro-1-N-(2-iodophenyl)-5-methoxybenzene-1,4-diamine
CID 107258709
4-dimethylphosphanyl-5-fluoro-2-methoxyaniline
CID 171574099
2-(2-bromo-4-methoxyphenoxy)-4-fluoro-5-iodoaniline
CID 104706508
2,5-difluoro-4-methoxyaniline
CID 45090681
1-ethoxy-4-fluoro-5-iodo-2-methoxybenzene
CID 59838060
1-(4-amino-2-fluoro-5-methoxyphenyl)ethenol
CID 156712123
1-N-(4-chloro-2-iodophenyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107634307
1-N-tert-butyl-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258668

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-iodo-2-methoxyaniline?
The IUPAC name of 5-fluoro-4-iodo-2-methoxyaniline (CID 131593338) is 5-fluoro-4-iodo-2-methoxyaniline.
What is the SMILES notation for 5-fluoro-4-iodo-2-methoxyaniline?
The canonical SMILES for 5-fluoro-4-iodo-2-methoxyaniline is COc1cc(I)c(F)cc1N.
What is the InChIKey of 5-fluoro-4-iodo-2-methoxyaniline?
The InChIKey is DTZYMHBYXPNKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FINO/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3H,10H2,1H3.
What are the key properties of 5-fluoro-4-iodo-2-methoxyaniline?
5-fluoro-4-iodo-2-methoxyaniline has a molecular weight of 267.04 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-iodo-2-methoxyaniline is sourced from PubChem (CID 131593338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).