2-chloro-3-fluoro-N,4-diiodoaniline

C6H3ClFI2N — CID 135219075

IUPAC2-chloro-3-fluoro-N,4-diiodoaniline
SMILESFc1c(I)ccc(NI)c1Cl
InChIInChI=1S/C6H3ClFI2N/c7-5-4(11-10)2-1-3(9)6(5)8/h1-2,11H
InChIKeyUWACTHFQRQVJFJ-UHFFFAOYSA-N
MW397.36 g/mol
LogP3.85
Rot. Bonds1

About 2-chloro-3-fluoro-N,4-diiodoaniline

2-chloro-3-fluoro-N,4-diiodoaniline (PubChem CID 135219075) has the molecular formula C6H3ClFI2N and a molecular weight of 397.36 g/mol. Its IUPAC name is 2-chloro-3-fluoro-N,4-diiodoaniline.

Molecular Properties

Compound Name2-chloro-3-fluoro-N,4-diiodoaniline
PubChem CID135219075
Molecular FormulaC6H3ClFI2N
Molecular Weight397.36 g/mol
Exact Mass396.80
IUPAC Name2-chloro-3-fluoro-N,4-diiodoaniline
SMILESFc1c(I)ccc(NI)c1Cl
InChIInChI=1S/C6H3ClFI2N/c7-5-4(11-10)2-1-3(9)6(5)8/h1-2,11H
InChIKeyUWACTHFQRQVJFJ-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', '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-chloro-3-fluoro-N,4-diiodoaniline?
The IUPAC name of 2-chloro-3-fluoro-N,4-diiodoaniline (CID 135219075) is 2-chloro-3-fluoro-N,4-diiodoaniline.
What is the SMILES notation for 2-chloro-3-fluoro-N,4-diiodoaniline?
The canonical SMILES for 2-chloro-3-fluoro-N,4-diiodoaniline is Fc1c(I)ccc(NI)c1Cl.
What is the InChIKey of 2-chloro-3-fluoro-N,4-diiodoaniline?
The InChIKey is UWACTHFQRQVJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClFI2N/c7-5-4(11-10)2-1-3(9)6(5)8/h1-2,11H.
What are the key properties of 2-chloro-3-fluoro-N,4-diiodoaniline?
2-chloro-3-fluoro-N,4-diiodoaniline has a molecular weight of 397.36 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-N,4-diiodoaniline is sourced from PubChem (CID 135219075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).