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

C3H3F3INO — CID 87708484

IUPAC2,2,2-trifluoro-N-(iodomethyl)acetamide
SMILESO=C(NCI)C(F)(F)F
InChIInChI=1S/C3H3F3INO/c4-3(5,6)2(9)8-1-7/h1H2,(H,8,9)
InChIKeyDPHFCXMEUOGTDA-UHFFFAOYSA-N
MW252.96 g/mol
LogP1.06
Rot. Bonds1

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

2,2,2-trifluoro-N-(iodomethyl)acetamide (PubChem CID 87708484) has the molecular formula C3H3F3INO and a molecular weight of 252.96 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(iodomethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(iodomethyl)acetamide
PubChem CID87708484
Molecular FormulaC3H3F3INO
Molecular Weight252.96 g/mol
Exact Mass252.92
IUPAC Name2,2,2-trifluoro-N-(iodomethyl)acetamide
SMILESO=C(NCI)C(F)(F)F
InChIInChI=1S/C3H3F3INO/c4-3(5,6)2(9)8-1-7/h1H2,(H,8,9)
InChIKeyDPHFCXMEUOGTDA-UHFFFAOYSA-N
XLogP1.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.96
LogP ≤ 51.06
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

N-ethyl-2,2,2-trifluoroacetamide
CID 581108
2-[(2,2,2-trifluoroacetyl)amino]ethylazanium
CID 36688932
2,2,2-trifluoro-N-(2-sulfanylideneethyl)acetamide
CID 19079826
2,2-dimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide
CID 108537712
2,2,2-trifluoro-N-(3-formamidopropyl)acetamide
CID 110461270
dimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]sulfanium
CID 172843562
3-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 140799745
N-but-2-ynyl-2,2,2-trifluoroacetamide
CID 115867465
N-[(E)-but-2-enyl]-2,2,2-trifluoroacetamide
CID 14120807
2-aminoacetic acid;2-[(2,2,2-trifluoroacetyl)amino]acetic acid
CID 160881248
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
2,2,2-trifluoro-N-[(2R)-2-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 7038847

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(iodomethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(iodomethyl)acetamide (CID 87708484) is 2,2,2-trifluoro-N-(iodomethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(iodomethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(iodomethyl)acetamide is O=C(NCI)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(iodomethyl)acetamide?
The InChIKey is DPHFCXMEUOGTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3INO/c4-3(5,6)2(9)8-1-7/h1H2,(H,8,9).
What are the key properties of 2,2,2-trifluoro-N-(iodomethyl)acetamide?
2,2,2-trifluoro-N-(iodomethyl)acetamide has a molecular weight of 252.96 g/mol, XLogP of 1.06, 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-(iodomethyl)acetamide is sourced from PubChem (CID 87708484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).