(1,3-dimethyl-2H-imidazol-2-yl) 2,2,2-trifluoroacetate

C7H9F3N2O2 — CID 67119886

IUPAC(1,3-dimethyl-2H-imidazol-2-yl) 2,2,2-trifluoroacetate
SMILESCN1C=CN(C)C1OC(=O)C(F)(F)F
InChIInChI=1S/C7H9F3N2O2/c1-11-3-4-12(2)6(11)14-5(13)7(8,9)10/h3-4,6H,1-2H3
InChIKeyAHIINOFGLRKBRQ-UHFFFAOYSA-N
MW210.16 g/mol
LogP0.72
Rot. Bonds1

About (1,3-dimethyl-2H-imidazol-2-yl) 2,2,2-trifluoroacetate

(1,3-dimethyl-2H-imidazol-2-yl) 2,2,2-trifluoroacetate (PubChem CID 67119886) has the molecular formula C7H9F3N2O2 and a molecular weight of 210.16 g/mol. Its IUPAC name is (1,3-dimethyl-2H-imidazol-2-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(1,3-dimethyl-2H-imidazol-2-yl) 2,2,2-trifluoroacetate
PubChem CID67119886
Molecular FormulaC7H9F3N2O2
Molecular Weight210.16 g/mol
Exact Mass210.06
IUPAC Name(1,3-dimethyl-2H-imidazol-2-yl) 2,2,2-trifluoroacetate
SMILESCN1C=CN(C)C1OC(=O)C(F)(F)F
InChIInChI=1S/C7H9F3N2O2/c1-11-3-4-12(2)6(11)14-5(13)7(8,9)10/h3-4,6H,1-2H3
InChIKeyAHIINOFGLRKBRQ-UHFFFAOYSA-N
XLogP0.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.16
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-2H-imidazol-2-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (1,3-dimethyl-2H-imidazol-2-yl) 2,2,2-trifluoroacetate (CID 67119886) is (1,3-dimethyl-2H-imidazol-2-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (1,3-dimethyl-2H-imidazol-2-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (1,3-dimethyl-2H-imidazol-2-yl) 2,2,2-trifluoroacetate is CN1C=CN(C)C1OC(=O)C(F)(F)F.
What is the InChIKey of (1,3-dimethyl-2H-imidazol-2-yl) 2,2,2-trifluoroacetate?
The InChIKey is AHIINOFGLRKBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O2/c1-11-3-4-12(2)6(11)14-5(13)7(8,9)10/h3-4,6H,1-2H3.
What are the key properties of (1,3-dimethyl-2H-imidazol-2-yl) 2,2,2-trifluoroacetate?
(1,3-dimethyl-2H-imidazol-2-yl) 2,2,2-trifluoroacetate has a molecular weight of 210.16 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-2H-imidazol-2-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 67119886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).