2,2,2-trifluoro-N-[4-(2-hydroxyethyl)-2-iodophenyl]acetamide

C10H9F3INO2 — CID 24795536

IUPAC2,2,2-trifluoro-N-[4-(2-hydroxyethyl)-2-iodophenyl]acetamide
SMILESO=C(Nc1ccc(CCO)cc1I)C(F)(F)F
InChIInChI=1S/C10H9F3INO2/c11-10(12,13)9(17)15-8-2-1-6(3-4-16)5-7(8)14/h1-2,5,16H,3-4H2,(H,15,17)
InChIKeyROCSSPHIYFHFMT-UHFFFAOYSA-N
MW359.09 g/mol
LogP2.33
Rot. Bonds3

About 2,2,2-trifluoro-N-[4-(2-hydroxyethyl)-2-iodophenyl]acetamide

2,2,2-trifluoro-N-[4-(2-hydroxyethyl)-2-iodophenyl]acetamide (PubChem CID 24795536) has the molecular formula C10H9F3INO2 and a molecular weight of 359.09 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-(2-hydroxyethyl)-2-iodophenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-(2-hydroxyethyl)-2-iodophenyl]acetamide
PubChem CID24795536
Molecular FormulaC10H9F3INO2
Molecular Weight359.09 g/mol
Exact Mass358.96
IUPAC Name2,2,2-trifluoro-N-[4-(2-hydroxyethyl)-2-iodophenyl]acetamide
SMILESO=C(Nc1ccc(CCO)cc1I)C(F)(F)F
InChIInChI=1S/C10H9F3INO2/c11-10(12,13)9(17)15-8-2-1-6(3-4-16)5-7(8)14/h1-2,5,16H,3-4H2,(H,15,17)
InChIKeyROCSSPHIYFHFMT-UHFFFAOYSA-N
XLogP2.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.09
LogP ≤ 52.33
H-Bond Donors ≤ 52
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 2,2,2-trifluoro-N-[4-(2-hydroxyethyl)-2-iodophenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-(2-hydroxyethyl)-2-iodophenyl]acetamide (CID 24795536) is 2,2,2-trifluoro-N-[4-(2-hydroxyethyl)-2-iodophenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-(2-hydroxyethyl)-2-iodophenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-(2-hydroxyethyl)-2-iodophenyl]acetamide is O=C(Nc1ccc(CCO)cc1I)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[4-(2-hydroxyethyl)-2-iodophenyl]acetamide?
The InChIKey is ROCSSPHIYFHFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3INO2/c11-10(12,13)9(17)15-8-2-1-6(3-4-16)5-7(8)14/h1-2,5,16H,3-4H2,(H,15,17).
What are the key properties of 2,2,2-trifluoro-N-[4-(2-hydroxyethyl)-2-iodophenyl]acetamide?
2,2,2-trifluoro-N-[4-(2-hydroxyethyl)-2-iodophenyl]acetamide has a molecular weight of 359.09 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-(2-hydroxyethyl)-2-iodophenyl]acetamide is sourced from PubChem (CID 24795536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).