2,2,2-trifluoro-N-(1-iodoethyl)acetamide

C4H5F3INO — CID 22138228

IUPAC2,2,2-trifluoro-N-(1-iodoethyl)acetamide
SMILESCC(I)NC(=O)C(F)(F)F
InChIInChI=1S/C4H5F3INO/c1-2(8)9-3(10)4(5,6)7/h2H,1H3,(H,9,10)
InChIKeyBAJUPPZDNLXWBQ-UHFFFAOYSA-N
MW266.99 g/mol
LogP1.45
Rot. Bonds1

About 2,2,2-trifluoro-N-(1-iodoethyl)acetamide

2,2,2-trifluoro-N-(1-iodoethyl)acetamide (PubChem CID 22138228) has the molecular formula C4H5F3INO and a molecular weight of 266.99 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-iodoethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-iodoethyl)acetamide
PubChem CID22138228
Molecular FormulaC4H5F3INO
Molecular Weight266.99 g/mol
Exact Mass266.94
IUPAC Name2,2,2-trifluoro-N-(1-iodoethyl)acetamide
SMILESCC(I)NC(=O)C(F)(F)F
InChIInChI=1S/C4H5F3INO/c1-2(8)9-3(10)4(5,6)7/h2H,1H3,(H,9,10)
InChIKeyBAJUPPZDNLXWBQ-UHFFFAOYSA-N
XLogP1.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.99
LogP ≤ 51.45
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-[1-[1-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide
CID 22561436
2,2,2-trifluoro-N-(1-sulfanylethyl)acetamide
CID 141004071
N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide
CID 15742934
N-but-3-yn-2-yl-2,2,2-trifluoroacetamide
CID 14025442
2,2,2-trifluoro-N-[(E,2S)-pent-3-en-2-yl]acetamide
CID 125476431
2,2,2-trifluoro-N-[(2R)-2-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 7038847
1-[(2,2,2-trifluoroacetyl)amino]ethanesulfonic acid;hydrochloride
CID 88792540
2,2,2-trifluoro-N-(6-methylheptan-2-yl)acetamide
CID 11564832
2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]acetamide
CID 21035206
N-(1-cyclobutylethyl)-2,2,2-trifluoroacetamide
CID 115769035
ethyl 2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 14778327
N-propyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 62492310

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-iodoethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-iodoethyl)acetamide (CID 22138228) is 2,2,2-trifluoro-N-(1-iodoethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-iodoethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-iodoethyl)acetamide is CC(I)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1-iodoethyl)acetamide?
The InChIKey is BAJUPPZDNLXWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3INO/c1-2(8)9-3(10)4(5,6)7/h2H,1H3,(H,9,10).
What are the key properties of 2,2,2-trifluoro-N-(1-iodoethyl)acetamide?
2,2,2-trifluoro-N-(1-iodoethyl)acetamide has a molecular weight of 266.99 g/mol, XLogP of 1.45, 1 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-(1-iodoethyl)acetamide is sourced from PubChem (CID 22138228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).