2,4-diiodo-N-(trifluoromethyl)aniline

C7H4F3I2N — CID 139257239

IUPAC2,4-diiodo-N-(trifluoromethyl)aniline
SMILESFC(F)(F)Nc1ccc(I)cc1I
InChIInChI=1S/C7H4F3I2N/c8-7(9,10)13-6-2-1-4(11)3-5(6)12/h1-3,13H
InChIKeyNBDIQXINOZRKBN-UHFFFAOYSA-N
MW412.92 g/mol
LogP3.83
Rot. Bonds1

About 2,4-diiodo-N-(trifluoromethyl)aniline

2,4-diiodo-N-(trifluoromethyl)aniline (PubChem CID 139257239) has the molecular formula C7H4F3I2N and a molecular weight of 412.92 g/mol. Its IUPAC name is 2,4-diiodo-N-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2,4-diiodo-N-(trifluoromethyl)aniline
PubChem CID139257239
Molecular FormulaC7H4F3I2N
Molecular Weight412.92 g/mol
Exact Mass412.84
IUPAC Name2,4-diiodo-N-(trifluoromethyl)aniline
SMILESFC(F)(F)Nc1ccc(I)cc1I
InChIInChI=1S/C7H4F3I2N/c8-7(9,10)13-6-2-1-4(11)3-5(6)12/h1-3,13H
InChIKeyNBDIQXINOZRKBN-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-diiodo-N-(trifluoromethyl)aniline?
The IUPAC name of 2,4-diiodo-N-(trifluoromethyl)aniline (CID 139257239) is 2,4-diiodo-N-(trifluoromethyl)aniline.
What is the SMILES notation for 2,4-diiodo-N-(trifluoromethyl)aniline?
The canonical SMILES for 2,4-diiodo-N-(trifluoromethyl)aniline is FC(F)(F)Nc1ccc(I)cc1I.
What is the InChIKey of 2,4-diiodo-N-(trifluoromethyl)aniline?
The InChIKey is NBDIQXINOZRKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3I2N/c8-7(9,10)13-6-2-1-4(11)3-5(6)12/h1-3,13H.
What are the key properties of 2,4-diiodo-N-(trifluoromethyl)aniline?
2,4-diiodo-N-(trifluoromethyl)aniline has a molecular weight of 412.92 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diiodo-N-(trifluoromethyl)aniline is sourced from PubChem (CID 139257239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).