methyl N'-(trifluoromethylsulfonyl)carbamimidate

C3H5F3N2O3S — CID 22864859

IUPACmethyl N'-(trifluoromethylsulfonyl)carbamimidate
SMILESCO/C(N)=N\S(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H5F3N2O3S/c1-11-2(7)8-12(9,10)3(4,5)6/h1H3,(H2,7,8)
InChIKeyOFXIKYHLVVHSCG-UHFFFAOYSA-N
MW206.14 g/mol
LogP-0.20
Rot. Bonds1

About methyl N'-(trifluoromethylsulfonyl)carbamimidate

methyl N'-(trifluoromethylsulfonyl)carbamimidate (PubChem CID 22864859) has the molecular formula C3H5F3N2O3S and a molecular weight of 206.14 g/mol. Its IUPAC name is methyl N'-(trifluoromethylsulfonyl)carbamimidate.

Molecular Properties

Compound Namemethyl N'-(trifluoromethylsulfonyl)carbamimidate
PubChem CID22864859
Molecular FormulaC3H5F3N2O3S
Molecular Weight206.14 g/mol
Exact Mass206.00
IUPAC Namemethyl N'-(trifluoromethylsulfonyl)carbamimidate
SMILESCO/C(N)=N\S(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H5F3N2O3S/c1-11-2(7)8-12(9,10)3(4,5)6/h1H3,(H2,7,8)
InChIKeyOFXIKYHLVVHSCG-UHFFFAOYSA-N
XLogP-0.20
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.14
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of methyl N'-(trifluoromethylsulfonyl)carbamimidate?
The IUPAC name of methyl N'-(trifluoromethylsulfonyl)carbamimidate (CID 22864859) is methyl N'-(trifluoromethylsulfonyl)carbamimidate.
What is the SMILES notation for methyl N'-(trifluoromethylsulfonyl)carbamimidate?
The canonical SMILES for methyl N'-(trifluoromethylsulfonyl)carbamimidate is CO/C(N)=N\S(=O)(=O)C(F)(F)F.
What is the InChIKey of methyl N'-(trifluoromethylsulfonyl)carbamimidate?
The InChIKey is OFXIKYHLVVHSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3N2O3S/c1-11-2(7)8-12(9,10)3(4,5)6/h1H3,(H2,7,8).
What are the key properties of methyl N'-(trifluoromethylsulfonyl)carbamimidate?
methyl N'-(trifluoromethylsulfonyl)carbamimidate has a molecular weight of 206.14 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-(trifluoromethylsulfonyl)carbamimidate is sourced from PubChem (CID 22864859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).