2,2,2-trifluoroethyl N,N'-dimethylcarbamimidate

C5H9F3N2O — CID 167095333

IUPAC2,2,2-trifluoroethyl N,N'-dimethylcarbamimidate
SMILESC/N=C(\NC)OCC(F)(F)F
InChIInChI=1S/C5H9F3N2O/c1-9-4(10-2)11-3-5(6,7)8/h3H2,1-2H3,(H,9,10)
InChIKeyJFOKZISEJAHCHX-UHFFFAOYSA-N
MW170.13 g/mol
LogP0.77
Rot. Bonds1

About 2,2,2-trifluoroethyl N,N'-dimethylcarbamimidate

2,2,2-trifluoroethyl N,N'-dimethylcarbamimidate (PubChem CID 167095333) has the molecular formula C5H9F3N2O and a molecular weight of 170.13 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N,N'-dimethylcarbamimidate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N,N'-dimethylcarbamimidate
PubChem CID167095333
Molecular FormulaC5H9F3N2O
Molecular Weight170.13 g/mol
Exact Mass170.07
IUPAC Name2,2,2-trifluoroethyl N,N'-dimethylcarbamimidate
SMILESC/N=C(\NC)OCC(F)(F)F
InChIInChI=1S/C5H9F3N2O/c1-9-4(10-2)11-3-5(6,7)8/h3H2,1-2H3,(H,9,10)
InChIKeyJFOKZISEJAHCHX-UHFFFAOYSA-N
XLogP0.77
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2,2,2-trifluoroethyl N,N'-dimethylcarbamimidate?
The IUPAC name of 2,2,2-trifluoroethyl N,N'-dimethylcarbamimidate (CID 167095333) is 2,2,2-trifluoroethyl N,N'-dimethylcarbamimidate.
What is the SMILES notation for 2,2,2-trifluoroethyl N,N'-dimethylcarbamimidate?
The canonical SMILES for 2,2,2-trifluoroethyl N,N'-dimethylcarbamimidate is C/N=C(\NC)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N,N'-dimethylcarbamimidate?
The InChIKey is JFOKZISEJAHCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O/c1-9-4(10-2)11-3-5(6,7)8/h3H2,1-2H3,(H,9,10).
What are the key properties of 2,2,2-trifluoroethyl N,N'-dimethylcarbamimidate?
2,2,2-trifluoroethyl N,N'-dimethylcarbamimidate has a molecular weight of 170.13 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N,N'-dimethylcarbamimidate is sourced from PubChem (CID 167095333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).