2,4,5-trifluoro-N-iodo-N-methylaniline

C7H5F3IN — CID 139420261

IUPAC2,4,5-trifluoro-N-iodo-N-methylaniline
SMILESCN(I)c1cc(F)c(F)cc1F
InChIInChI=1S/C7H5F3IN/c1-12(11)7-3-5(9)4(8)2-6(7)10/h2-3H,1H3
InChIKeyHVGHYBAKPKXWRG-UHFFFAOYSA-N
MW287.02 g/mol
LogP2.89
Rot. Bonds1

About 2,4,5-trifluoro-N-iodo-N-methylaniline

2,4,5-trifluoro-N-iodo-N-methylaniline (PubChem CID 139420261) has the molecular formula C7H5F3IN and a molecular weight of 287.02 g/mol. Its IUPAC name is 2,4,5-trifluoro-N-iodo-N-methylaniline.

Molecular Properties

Compound Name2,4,5-trifluoro-N-iodo-N-methylaniline
PubChem CID139420261
Molecular FormulaC7H5F3IN
Molecular Weight287.02 g/mol
Exact Mass286.94
IUPAC Name2,4,5-trifluoro-N-iodo-N-methylaniline
SMILESCN(I)c1cc(F)c(F)cc1F
InChIInChI=1S/C7H5F3IN/c1-12(11)7-3-5(9)4(8)2-6(7)10/h2-3H,1H3
InChIKeyHVGHYBAKPKXWRG-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.02
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-N-iodo-N-methylaniline?
The IUPAC name of 2,4,5-trifluoro-N-iodo-N-methylaniline (CID 139420261) is 2,4,5-trifluoro-N-iodo-N-methylaniline.
What is the SMILES notation for 2,4,5-trifluoro-N-iodo-N-methylaniline?
The canonical SMILES for 2,4,5-trifluoro-N-iodo-N-methylaniline is CN(I)c1cc(F)c(F)cc1F.
What is the InChIKey of 2,4,5-trifluoro-N-iodo-N-methylaniline?
The InChIKey is HVGHYBAKPKXWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3IN/c1-12(11)7-3-5(9)4(8)2-6(7)10/h2-3H,1H3.
What are the key properties of 2,4,5-trifluoro-N-iodo-N-methylaniline?
2,4,5-trifluoro-N-iodo-N-methylaniline has a molecular weight of 287.02 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-N-iodo-N-methylaniline is sourced from PubChem (CID 139420261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).