2,2,2-trifluoro-N-(2-iodoethyl)acetamide

C4H5F3INO — CID 587696

IUPAC2,2,2-trifluoro-N-(2-iodoethyl)acetamide
SMILESO=C(NCCI)C(F)(F)F
InChIInChI=1S/C4H5F3INO/c5-4(6,7)3(10)9-2-1-8/h1-2H2,(H,9,10)
InChIKeyQFRHEHPVTSCSIH-UHFFFAOYSA-N
MW266.99 g/mol
LogP1.10
Rot. Bonds2

About 2,2,2-trifluoro-N-(2-iodoethyl)acetamide

2,2,2-trifluoro-N-(2-iodoethyl)acetamide (PubChem CID 587696) has the molecular formula C4H5F3INO and a molecular weight of 266.99 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-iodoethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-iodoethyl)acetamide
PubChem CID587696
Molecular FormulaC4H5F3INO
Molecular Weight266.99 g/mol
Exact Mass266.94
IUPAC Name2,2,2-trifluoro-N-(2-iodoethyl)acetamide
SMILESO=C(NCCI)C(F)(F)F
InChIInChI=1S/C4H5F3INO/c5-4(6,7)3(10)9-2-1-8/h1-2H2,(H,9,10)
InChIKeyQFRHEHPVTSCSIH-UHFFFAOYSA-N
XLogP1.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.99
LogP ≤ 51.10
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 2,2,2-trifluoro-N-(2-iodoethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-iodoethyl)acetamide (CID 587696) is 2,2,2-trifluoro-N-(2-iodoethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-iodoethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-iodoethyl)acetamide is O=C(NCCI)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-iodoethyl)acetamide?
The InChIKey is QFRHEHPVTSCSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3INO/c5-4(6,7)3(10)9-2-1-8/h1-2H2,(H,9,10).
What are the key properties of 2,2,2-trifluoro-N-(2-iodoethyl)acetamide?
2,2,2-trifluoro-N-(2-iodoethyl)acetamide has a molecular weight of 266.99 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-iodoethyl)acetamide is sourced from PubChem (CID 587696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).