4-fluoro-2-iodo-6-methylaniline

C7H7FIN — CID 79018506

IUPAC4-fluoro-2-iodo-6-methylaniline
SMILESCc1cc(F)cc(I)c1N
InChIInChI=1S/C7H7FIN/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,10H2,1H3
InChIKeyAPLXLNFNIAYOPD-UHFFFAOYSA-N
MW251.04 g/mol
LogP2.32
Rot. Bonds

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

4-fluoro-2-iodo-6-methylaniline (PubChem CID 79018506) has the molecular formula C7H7FIN and a molecular weight of 251.04 g/mol. Its IUPAC name is 4-fluoro-2-iodo-6-methylaniline.

Molecular Properties

Compound Name4-fluoro-2-iodo-6-methylaniline
PubChem CID79018506
Molecular FormulaC7H7FIN
Molecular Weight251.04 g/mol
Exact Mass250.96
IUPAC Name4-fluoro-2-iodo-6-methylaniline
SMILESCc1cc(F)cc(I)c1N
InChIInChI=1S/C7H7FIN/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,10H2,1H3
InChIKeyAPLXLNFNIAYOPD-UHFFFAOYSA-N
XLogP2.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.04
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4-fluoro-2-iodo-6-methylaniline?
The IUPAC name of 4-fluoro-2-iodo-6-methylaniline (CID 79018506) is 4-fluoro-2-iodo-6-methylaniline.
What is the SMILES notation for 4-fluoro-2-iodo-6-methylaniline?
The canonical SMILES for 4-fluoro-2-iodo-6-methylaniline is Cc1cc(F)cc(I)c1N.
What is the InChIKey of 4-fluoro-2-iodo-6-methylaniline?
The InChIKey is APLXLNFNIAYOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FIN/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,10H2,1H3.
What are the key properties of 4-fluoro-2-iodo-6-methylaniline?
4-fluoro-2-iodo-6-methylaniline has a molecular weight of 251.04 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodo-6-methylaniline is sourced from PubChem (CID 79018506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).