N-(5-acetyl-2-iodophenyl)-2,2,2-trifluoroacetamide

C10H7F3INO2 — CID 135076920

IUPACN-(5-acetyl-2-iodophenyl)-2,2,2-trifluoroacetamide
SMILESCC(=O)c1ccc(I)c(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C10H7F3INO2/c1-5(16)6-2-3-7(14)8(4-6)15-9(17)10(11,12)13/h2-4H,1H3,(H,15,17)
InChIKeyPJKQCNCHOMCBAL-UHFFFAOYSA-N
MW357.07 g/mol
LogP2.99
Rot. Bonds2

About N-(5-acetyl-2-iodophenyl)-2,2,2-trifluoroacetamide

N-(5-acetyl-2-iodophenyl)-2,2,2-trifluoroacetamide (PubChem CID 135076920) has the molecular formula C10H7F3INO2 and a molecular weight of 357.07 g/mol. Its IUPAC name is N-(5-acetyl-2-iodophenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(5-acetyl-2-iodophenyl)-2,2,2-trifluoroacetamide
PubChem CID135076920
Molecular FormulaC10H7F3INO2
Molecular Weight357.07 g/mol
Exact Mass356.95
IUPAC NameN-(5-acetyl-2-iodophenyl)-2,2,2-trifluoroacetamide
SMILESCC(=O)c1ccc(I)c(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C10H7F3INO2/c1-5(16)6-2-3-7(14)8(4-6)15-9(17)10(11,12)13/h2-4H,1H3,(H,15,17)
InChIKeyPJKQCNCHOMCBAL-UHFFFAOYSA-N
XLogP2.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.07
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-iodophenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(5-acetyl-2-iodophenyl)-2,2,2-trifluoroacetamide (CID 135076920) is N-(5-acetyl-2-iodophenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(5-acetyl-2-iodophenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(5-acetyl-2-iodophenyl)-2,2,2-trifluoroacetamide is CC(=O)c1ccc(I)c(NC(=O)C(F)(F)F)c1.
What is the InChIKey of N-(5-acetyl-2-iodophenyl)-2,2,2-trifluoroacetamide?
The InChIKey is PJKQCNCHOMCBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3INO2/c1-5(16)6-2-3-7(14)8(4-6)15-9(17)10(11,12)13/h2-4H,1H3,(H,15,17).
What are the key properties of N-(5-acetyl-2-iodophenyl)-2,2,2-trifluoroacetamide?
N-(5-acetyl-2-iodophenyl)-2,2,2-trifluoroacetamide has a molecular weight of 357.07 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-iodophenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 135076920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).