6-fluoro-2,6-diiodo-N-methylcyclohexa-2,4-diene-1-carboxamide

C8H8FI2NO — CID 150559234

IUPAC6-fluoro-2,6-diiodo-N-methylcyclohexa-2,4-diene-1-carboxamide
SMILESCNC(=O)C1C(I)=CC=CC1(F)I
InChIInChI=1S/C8H8FI2NO/c1-12-7(13)6-5(10)3-2-4-8(6,9)11/h2-4,6H,1H3,(H,12,13)
InChIKeyIJMLCBJHDSUASU-UHFFFAOYSA-N
MW406.96 g/mol
LogP2.34
Rot. Bonds1

About 6-fluoro-2,6-diiodo-N-methylcyclohexa-2,4-diene-1-carboxamide

6-fluoro-2,6-diiodo-N-methylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 150559234) has the molecular formula C8H8FI2NO and a molecular weight of 406.96 g/mol. Its IUPAC name is 6-fluoro-2,6-diiodo-N-methylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-fluoro-2,6-diiodo-N-methylcyclohexa-2,4-diene-1-carboxamide
PubChem CID150559234
Molecular FormulaC8H8FI2NO
Molecular Weight406.96 g/mol
Exact Mass406.87
IUPAC Name6-fluoro-2,6-diiodo-N-methylcyclohexa-2,4-diene-1-carboxamide
SMILESCNC(=O)C1C(I)=CC=CC1(F)I
InChIInChI=1S/C8H8FI2NO/c1-12-7(13)6-5(10)3-2-4-8(6,9)11/h2-4,6H,1H3,(H,12,13)
InChIKeyIJMLCBJHDSUASU-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.96
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,6-diiodo-N-methylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-fluoro-2,6-diiodo-N-methylcyclohexa-2,4-diene-1-carboxamide (CID 150559234) is 6-fluoro-2,6-diiodo-N-methylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-fluoro-2,6-diiodo-N-methylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-fluoro-2,6-diiodo-N-methylcyclohexa-2,4-diene-1-carboxamide is CNC(=O)C1C(I)=CC=CC1(F)I.
What is the InChIKey of 6-fluoro-2,6-diiodo-N-methylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is IJMLCBJHDSUASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FI2NO/c1-12-7(13)6-5(10)3-2-4-8(6,9)11/h2-4,6H,1H3,(H,12,13).
What are the key properties of 6-fluoro-2,6-diiodo-N-methylcyclohexa-2,4-diene-1-carboxamide?
6-fluoro-2,6-diiodo-N-methylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 406.96 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,6-diiodo-N-methylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 150559234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).