N-(3-fluoro-5-iodophenyl)oxan-4-amine

C11H13FINO — CID 146173510

IUPACN-(3-fluoro-5-iodophenyl)oxan-4-amine
SMILESFc1cc(I)cc(NC2CCOCC2)c1
InChIInChI=1S/C11H13FINO/c12-8-5-9(13)7-11(6-8)14-10-1-3-15-4-2-10/h5-7,10,14H,1-4H2
InChIKeyQLWXSXGWQDMOOC-UHFFFAOYSA-N
MW321.13 g/mol
LogP3.02
Rot. Bonds2

About N-(3-fluoro-5-iodophenyl)oxan-4-amine

N-(3-fluoro-5-iodophenyl)oxan-4-amine (PubChem CID 146173510) has the molecular formula C11H13FINO and a molecular weight of 321.13 g/mol. Its IUPAC name is N-(3-fluoro-5-iodophenyl)oxan-4-amine.

Molecular Properties

Compound NameN-(3-fluoro-5-iodophenyl)oxan-4-amine
PubChem CID146173510
Molecular FormulaC11H13FINO
Molecular Weight321.13 g/mol
Exact Mass321.00
IUPAC NameN-(3-fluoro-5-iodophenyl)oxan-4-amine
SMILESFc1cc(I)cc(NC2CCOCC2)c1
InChIInChI=1S/C11H13FINO/c12-8-5-9(13)7-11(6-8)14-10-1-3-15-4-2-10/h5-7,10,14H,1-4H2
InChIKeyQLWXSXGWQDMOOC-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.13
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-fluoro-5-iodophenyl)oxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-iodophenyl)oxan-4-amine?
The IUPAC name of N-(3-fluoro-5-iodophenyl)oxan-4-amine (CID 146173510) is N-(3-fluoro-5-iodophenyl)oxan-4-amine.
What is the SMILES notation for N-(3-fluoro-5-iodophenyl)oxan-4-amine?
The canonical SMILES for N-(3-fluoro-5-iodophenyl)oxan-4-amine is Fc1cc(I)cc(NC2CCOCC2)c1.
What is the InChIKey of N-(3-fluoro-5-iodophenyl)oxan-4-amine?
The InChIKey is QLWXSXGWQDMOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FINO/c12-8-5-9(13)7-11(6-8)14-10-1-3-15-4-2-10/h5-7,10,14H,1-4H2.
What are the key properties of N-(3-fluoro-5-iodophenyl)oxan-4-amine?
N-(3-fluoro-5-iodophenyl)oxan-4-amine has a molecular weight of 321.13 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-iodophenyl)oxan-4-amine is sourced from PubChem (CID 146173510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).