3-fluoro-5-iodoaniline

C6H5FIN — CID 2758986

IUPAC3-fluoro-5-iodoaniline
SMILESNc1cc(F)cc(I)c1
InChIInChI=1S/C6H5FIN/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
InChIKeyHTEPMXLKKDKDAQ-UHFFFAOYSA-N
MW237.01 g/mol
LogP2.01
Rot. Bonds

About 3-fluoro-5-iodoaniline

3-fluoro-5-iodoaniline (PubChem CID 2758986) has the molecular formula C6H5FIN and a molecular weight of 237.01 g/mol. Its IUPAC name is 3-fluoro-5-iodoaniline.

Molecular Properties

Compound Name3-fluoro-5-iodoaniline
PubChem CID2758986
Molecular FormulaC6H5FIN
Molecular Weight237.01 g/mol
Exact Mass236.95
IUPAC Name3-fluoro-5-iodoaniline
SMILESNc1cc(F)cc(I)c1
InChIInChI=1S/C6H5FIN/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
InChIKeyHTEPMXLKKDKDAQ-UHFFFAOYSA-N
XLogP2.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.01
LogP ≤ 52.01
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 3-fluoro-5-iodoaniline?
The IUPAC name of 3-fluoro-5-iodoaniline (CID 2758986) is 3-fluoro-5-iodoaniline.
What is the SMILES notation for 3-fluoro-5-iodoaniline?
The canonical SMILES for 3-fluoro-5-iodoaniline is Nc1cc(F)cc(I)c1.
What is the InChIKey of 3-fluoro-5-iodoaniline?
The InChIKey is HTEPMXLKKDKDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FIN/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2.
What are the key properties of 3-fluoro-5-iodoaniline?
3-fluoro-5-iodoaniline has a molecular weight of 237.01 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-iodoaniline is sourced from PubChem (CID 2758986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).