2-(trifluoromethylsulfonylamino)ethyl acetate

C5H8F3NO4S — CID 88539107

IUPAC2-(trifluoromethylsulfonylamino)ethyl acetate
SMILESCC(=O)OCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO4S/c1-4(10)13-3-2-9-14(11,12)5(6,7)8/h9H,2-3H2,1H3
InChIKeyGXTCOLZDBQVKNR-UHFFFAOYSA-N
MW235.18 g/mol
LogP-0.01
Rot. Bonds4

About 2-(trifluoromethylsulfonylamino)ethyl acetate

2-(trifluoromethylsulfonylamino)ethyl acetate (PubChem CID 88539107) has the molecular formula C5H8F3NO4S and a molecular weight of 235.18 g/mol. Its IUPAC name is 2-(trifluoromethylsulfonylamino)ethyl acetate.

Molecular Properties

Compound Name2-(trifluoromethylsulfonylamino)ethyl acetate
PubChem CID88539107
Molecular FormulaC5H8F3NO4S
Molecular Weight235.18 g/mol
Exact Mass235.01
IUPAC Name2-(trifluoromethylsulfonylamino)ethyl acetate
SMILESCC(=O)OCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO4S/c1-4(10)13-3-2-9-14(11,12)5(6,7)8/h9H,2-3H2,1H3
InChIKeyGXTCOLZDBQVKNR-UHFFFAOYSA-N
XLogP-0.01
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.18
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(trifluoromethylsulfonylamino)ethyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(Ethoxycarbonyl)Methyl-Trifluoromethanesulfonamide
CID 19081739
Ethyl 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)acetate
CID 23236627
[(2S)-2-(trifluoromethylsulfonylamino)butyl] acetate
CID 176436283
(Trifluoromethylsulfonylamino)acetic acid methyl ester
CID 21282781
(2-Ethoxy-2-oxoethyl)-(trifluoromethylsulfonyl)azanide
CID 58427696
2-(Trifluoromethylsulfonylamino)ethyl 2-oxopropanoate
CID 90128312
2-(Trifluoromethylsulfonylamino)propyl propanoate
CID 90142801
2-(Trifluoromethylsulfonylamino)propyl 2-fluoropropanoate
CID 90142802
2-(Trifluoromethylsulfonylamino)propyl 2-methylpropanoate
CID 90142804
1-(Trifluoromethylsulfonylamino)butan-2-yl 2-fluoropropanoate
CID 90142806
1-(Trifluoromethylsulfonylamino)butan-2-yl propanoate
CID 90142807
2-(Trifluoromethylsulfanylamino)ethyl acetate
CID 129214262

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfonylamino)ethyl acetate?
The IUPAC name of 2-(trifluoromethylsulfonylamino)ethyl acetate (CID 88539107) is 2-(trifluoromethylsulfonylamino)ethyl acetate.
What is the SMILES notation for 2-(trifluoromethylsulfonylamino)ethyl acetate?
The canonical SMILES for 2-(trifluoromethylsulfonylamino)ethyl acetate is CC(=O)OCCNS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethylsulfonylamino)ethyl acetate?
The InChIKey is GXTCOLZDBQVKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO4S/c1-4(10)13-3-2-9-14(11,12)5(6,7)8/h9H,2-3H2,1H3.
What are the key properties of 2-(trifluoromethylsulfonylamino)ethyl acetate?
2-(trifluoromethylsulfonylamino)ethyl acetate has a molecular weight of 235.18 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfonylamino)ethyl acetate is sourced from PubChem (CID 88539107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).