2,2,2-trifluoro-N-(1H-imidazol-5-ylmethyl)-N-methylacetamide

C7H8F3N3O — CID 57318631

IUPAC2,2,2-trifluoro-N-(1H-imidazol-5-ylmethyl)-N-methylacetamide
SMILESCN(Cc1cnc[nH]1)C(=O)C(F)(F)F
InChIInChI=1S/C7H8F3N3O/c1-13(6(14)7(8,9)10)3-5-2-11-4-12-5/h2,4H,3H2,1H3,(H,11,12)
InChIKeyVQILJFODRPBMHB-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.93
Rot. Bonds2

About 2,2,2-trifluoro-N-(1H-imidazol-5-ylmethyl)-N-methylacetamide

2,2,2-trifluoro-N-(1H-imidazol-5-ylmethyl)-N-methylacetamide (PubChem CID 57318631) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1H-imidazol-5-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1H-imidazol-5-ylmethyl)-N-methylacetamide
PubChem CID57318631
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name2,2,2-trifluoro-N-(1H-imidazol-5-ylmethyl)-N-methylacetamide
SMILESCN(Cc1cnc[nH]1)C(=O)C(F)(F)F
InChIInChI=1S/C7H8F3N3O/c1-13(6(14)7(8,9)10)3-5-2-11-4-12-5/h2,4H,3H2,1H3,(H,11,12)
InChIKeyVQILJFODRPBMHB-UHFFFAOYSA-N
XLogP0.93
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1H-imidazol-5-ylmethyl)-N-methylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1H-imidazol-5-ylmethyl)-N-methylacetamide (CID 57318631) is 2,2,2-trifluoro-N-(1H-imidazol-5-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1H-imidazol-5-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1H-imidazol-5-ylmethyl)-N-methylacetamide is CN(Cc1cnc[nH]1)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1H-imidazol-5-ylmethyl)-N-methylacetamide?
The InChIKey is VQILJFODRPBMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-13(6(14)7(8,9)10)3-5-2-11-4-12-5/h2,4H,3H2,1H3,(H,11,12).
What are the key properties of 2,2,2-trifluoro-N-(1H-imidazol-5-ylmethyl)-N-methylacetamide?
2,2,2-trifluoro-N-(1H-imidazol-5-ylmethyl)-N-methylacetamide has a molecular weight of 207.16 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1H-imidazol-5-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 57318631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).