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

C4H6F3NOS — CID 141004071

IUPAC2,2,2-trifluoro-N-(1-sulfanylethyl)acetamide
SMILESCC(S)NC(=O)C(F)(F)F
InChIInChI=1S/C4H6F3NOS/c1-2(10)8-3(9)4(5,6)7/h2,10H,1H3,(H,8,9)
InChIKeyFEMNHDKQEFNUBY-UHFFFAOYSA-N
MW173.16 g/mol
LogP0.94
Rot. Bonds1

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

2,2,2-trifluoro-N-(1-sulfanylethyl)acetamide (PubChem CID 141004071) has the molecular formula C4H6F3NOS and a molecular weight of 173.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-sulfanylethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-sulfanylethyl)acetamide
PubChem CID141004071
Molecular FormulaC4H6F3NOS
Molecular Weight173.16 g/mol
Exact Mass173.01
IUPAC Name2,2,2-trifluoro-N-(1-sulfanylethyl)acetamide
SMILESCC(S)NC(=O)C(F)(F)F
InChIInChI=1S/C4H6F3NOS/c1-2(10)8-3(9)4(5,6)7/h2,10H,1H3,(H,8,9)
InChIKeyFEMNHDKQEFNUBY-UHFFFAOYSA-N
XLogP0.94
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', '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-iodoethyl)acetamide
CID 22138228
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-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 62490280
ethyl 2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 14778327
N-(1-cyclobutylethyl)-2,2,2-trifluoroacetamide
CID 115769035
2-methyl-N-[(1S)-1-sulfanylethyl]prop-2-enamide
CID 134338956

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-sulfanylethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-sulfanylethyl)acetamide (CID 141004071) is 2,2,2-trifluoro-N-(1-sulfanylethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-sulfanylethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-sulfanylethyl)acetamide is CC(S)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1-sulfanylethyl)acetamide?
The InChIKey is FEMNHDKQEFNUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NOS/c1-2(10)8-3(9)4(5,6)7/h2,10H,1H3,(H,8,9).
What are the key properties of 2,2,2-trifluoro-N-(1-sulfanylethyl)acetamide?
2,2,2-trifluoro-N-(1-sulfanylethyl)acetamide has a molecular weight of 173.16 g/mol, XLogP of 0.94, 1 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-(1-sulfanylethyl)acetamide is sourced from PubChem (CID 141004071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).