4-fluoro-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline

C16H15FINO — CID 66101922

IUPAC4-fluoro-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline
SMILESNc1cc(I)c(F)cc1OC1CCCc2ccccc21
InChIInChI=1S/C16H15FINO/c17-12-8-16(14(19)9-13(12)18)20-15-7-3-5-10-4-1-2-6-11(10)15/h1-2,4,6,8-9,15H,3,5,7,19H2
InChIKeyXZBPJWSFEMVTAH-UHFFFAOYSA-N
MW383.20 g/mol
LogP4.47
Rot. Bonds2

About 4-fluoro-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline

4-fluoro-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline (PubChem CID 66101922) has the molecular formula C16H15FINO and a molecular weight of 383.20 g/mol. Its IUPAC name is 4-fluoro-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline.

Molecular Properties

Compound Name4-fluoro-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline
PubChem CID66101922
Molecular FormulaC16H15FINO
Molecular Weight383.20 g/mol
Exact Mass383.02
IUPAC Name4-fluoro-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline
SMILESNc1cc(I)c(F)cc1OC1CCCc2ccccc21
InChIInChI=1S/C16H15FINO/c17-12-8-16(14(19)9-13(12)18)20-15-7-3-5-10-4-1-2-6-11(10)15/h1-2,4,6,8-9,15H,3,5,7,19H2
InChIKeyXZBPJWSFEMVTAH-UHFFFAOYSA-N
XLogP4.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.20
LogP ≤ 54.47
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 4-fluoro-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline?
The IUPAC name of 4-fluoro-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline (CID 66101922) is 4-fluoro-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline.
What is the SMILES notation for 4-fluoro-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline?
The canonical SMILES for 4-fluoro-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline is Nc1cc(I)c(F)cc1OC1CCCc2ccccc21.
What is the InChIKey of 4-fluoro-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline?
The InChIKey is XZBPJWSFEMVTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FINO/c17-12-8-16(14(19)9-13(12)18)20-15-7-3-5-10-4-1-2-6-11(10)15/h1-2,4,6,8-9,15H,3,5,7,19H2.
What are the key properties of 4-fluoro-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline?
4-fluoro-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline has a molecular weight of 383.20 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline is sourced from PubChem (CID 66101922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).