3-fluoro-6-iodo-2-methoxy-4-methylaniline

C8H9FINO — CID 177062640

IUPAC3-fluoro-6-iodo-2-methoxy-4-methylaniline
SMILESCOc1c(N)c(I)cc(C)c1F
InChIInChI=1S/C8H9FINO/c1-4-3-5(10)7(11)8(12-2)6(4)9/h3H,11H2,1-2H3
InChIKeyQRIUFCKWYFXQNL-UHFFFAOYSA-N
MW281.07 g/mol
LogP2.33
Rot. Bonds1

About 3-fluoro-6-iodo-2-methoxy-4-methylaniline

3-fluoro-6-iodo-2-methoxy-4-methylaniline (PubChem CID 177062640) has the molecular formula C8H9FINO and a molecular weight of 281.07 g/mol. Its IUPAC name is 3-fluoro-6-iodo-2-methoxy-4-methylaniline.

Molecular Properties

Compound Name3-fluoro-6-iodo-2-methoxy-4-methylaniline
PubChem CID177062640
Molecular FormulaC8H9FINO
Molecular Weight281.07 g/mol
Exact Mass280.97
IUPAC Name3-fluoro-6-iodo-2-methoxy-4-methylaniline
SMILESCOc1c(N)c(I)cc(C)c1F
InChIInChI=1S/C8H9FINO/c1-4-3-5(10)7(11)8(12-2)6(4)9/h3H,11H2,1-2H3
InChIKeyQRIUFCKWYFXQNL-UHFFFAOYSA-N
XLogP2.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.07
LogP ≤ 52.33
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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-iodo-2-methoxy-4-methylaniline?
The IUPAC name of 3-fluoro-6-iodo-2-methoxy-4-methylaniline (CID 177062640) is 3-fluoro-6-iodo-2-methoxy-4-methylaniline.
What is the SMILES notation for 3-fluoro-6-iodo-2-methoxy-4-methylaniline?
The canonical SMILES for 3-fluoro-6-iodo-2-methoxy-4-methylaniline is COc1c(N)c(I)cc(C)c1F.
What is the InChIKey of 3-fluoro-6-iodo-2-methoxy-4-methylaniline?
The InChIKey is QRIUFCKWYFXQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FINO/c1-4-3-5(10)7(11)8(12-2)6(4)9/h3H,11H2,1-2H3.
What are the key properties of 3-fluoro-6-iodo-2-methoxy-4-methylaniline?
3-fluoro-6-iodo-2-methoxy-4-methylaniline has a molecular weight of 281.07 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-iodo-2-methoxy-4-methylaniline is sourced from PubChem (CID 177062640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).