(1E)-N-(trifluoromethylsulfonyl)ethanimidate

C3H3F3NO3S- — CID 20807114

IUPAC(1E)-N-(trifluoromethylsulfonyl)ethanimidate
SMILESC/C([O-])=N\S(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H4F3NO3S/c1-2(8)7-11(9,10)3(4,5)6/h1H3,(H,7,8)/p-1
InChIKeyQMDQWTMVQROPFX-UHFFFAOYSA-M
MW190.12 g/mol
LogP-0.39
Rot. Bonds1

About (1E)-N-(trifluoromethylsulfonyl)ethanimidate

(1E)-N-(trifluoromethylsulfonyl)ethanimidate (PubChem CID 20807114) has the molecular formula C3H3F3NO3S- and a molecular weight of 190.12 g/mol. Its IUPAC name is (1E)-N-(trifluoromethylsulfonyl)ethanimidate.

Molecular Properties

Compound Name(1E)-N-(trifluoromethylsulfonyl)ethanimidate
PubChem CID20807114
Molecular FormulaC3H3F3NO3S-
Molecular Weight190.12 g/mol
Exact Mass189.98
IUPAC Name(1E)-N-(trifluoromethylsulfonyl)ethanimidate
SMILESC/C([O-])=N\S(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H4F3NO3S/c1-2(8)7-11(9,10)3(4,5)6/h1H3,(H,7,8)/p-1
InChIKeyQMDQWTMVQROPFX-UHFFFAOYSA-M
XLogP-0.39
TPSA69.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.12
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(1Z)-2,2-dimethyl-N-(trifluoromethylsulfonyl)propanimidate
CID 155621283
2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanimidate
CID 59386224
N-[1,1,2,2-tetrafluoro-2-[(Z)-2-oxido-4-oxopent-2-en-3-yl]sulfonylethyl]sulfonylethanimidate
CID 162487835
(1Z)-N-(trifluoromethylsulfonyl)-3-trimethylsilylpropanimidate
CID 155621370
(1Z)-N-(trifluoromethylsulfonyl)undecanimidate
CID 155621357
methyl N'-(trifluoromethylsulfonyl)carbamimidate
CID 22864859
(1Z)-N-(trifluoromethylsulfonyl)pent-4-enimidate
CID 155621339
(Z)-N-(trifluoromethylsulfonyl)cyclododecanecarboximidate
CID 155621363
(1Z)-3,5-dichloro-N-(trifluoromethylsulfonyl)benzenecarboximidate
CID 155621507
(1Z)-4-amino-N-(trifluoromethylsulfonyl)benzenecarboximidate
CID 155621360
(1Z)-2,4,6-trifluoro-N-(trifluoromethylsulfonyl)benzenecarboximidate
CID 155621251
(E,1Z)-N-(trifluoromethylsulfonyl)octadec-9-enimidate
CID 155621297

Frequently Asked Questions

What is the IUPAC name of (1E)-N-(trifluoromethylsulfonyl)ethanimidate?
The IUPAC name of (1E)-N-(trifluoromethylsulfonyl)ethanimidate (CID 20807114) is (1E)-N-(trifluoromethylsulfonyl)ethanimidate.
What is the SMILES notation for (1E)-N-(trifluoromethylsulfonyl)ethanimidate?
The canonical SMILES for (1E)-N-(trifluoromethylsulfonyl)ethanimidate is C/C([O-])=N\S(=O)(=O)C(F)(F)F.
What is the InChIKey of (1E)-N-(trifluoromethylsulfonyl)ethanimidate?
The InChIKey is QMDQWTMVQROPFX-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H4F3NO3S/c1-2(8)7-11(9,10)3(4,5)6/h1H3,(H,7,8)/p-1.
What are the key properties of (1E)-N-(trifluoromethylsulfonyl)ethanimidate?
(1E)-N-(trifluoromethylsulfonyl)ethanimidate has a molecular weight of 190.12 g/mol, XLogP of -0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-(trifluoromethylsulfonyl)ethanimidate is sourced from PubChem (CID 20807114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).