2,2,2-trifluoro-N-[2-(1-methylimidazol-4-yl)ethyl]acetamide

C8H10F3N3O — CID 6422110

IUPAC2,2,2-trifluoro-N-[2-(1-methylimidazol-4-yl)ethyl]acetamide
SMILESCn1cnc(CCNC(=O)C(F)(F)F)c1
InChIInChI=1S/C8H10F3N3O/c1-14-4-6(13-5-14)2-3-12-7(15)8(9,10)11/h4-5H,2-3H2,1H3,(H,12,15)
InChIKeyGUUKKZKPDLVLDM-UHFFFAOYSA-N
MW221.18 g/mol
LogP0.64
Rot. Bonds3

About 2,2,2-trifluoro-N-[2-(1-methylimidazol-4-yl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(1-methylimidazol-4-yl)ethyl]acetamide (PubChem CID 6422110) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(1-methylimidazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(1-methylimidazol-4-yl)ethyl]acetamide
PubChem CID6422110
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name2,2,2-trifluoro-N-[2-(1-methylimidazol-4-yl)ethyl]acetamide
SMILESCn1cnc(CCNC(=O)C(F)(F)F)c1
InChIInChI=1S/C8H10F3N3O/c1-14-4-6(13-5-14)2-3-12-7(15)8(9,10)11/h4-5H,2-3H2,1H3,(H,12,15)
InChIKeyGUUKKZKPDLVLDM-UHFFFAOYSA-N
XLogP0.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(1-methylimidazol-4-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(1-methylimidazol-4-yl)ethyl]acetamide (CID 6422110) is 2,2,2-trifluoro-N-[2-(1-methylimidazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(1-methylimidazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(1-methylimidazol-4-yl)ethyl]acetamide is Cn1cnc(CCNC(=O)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(1-methylimidazol-4-yl)ethyl]acetamide?
The InChIKey is GUUKKZKPDLVLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-14-4-6(13-5-14)2-3-12-7(15)8(9,10)11/h4-5H,2-3H2,1H3,(H,12,15).
What are the key properties of 2,2,2-trifluoro-N-[2-(1-methylimidazol-4-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(1-methylimidazol-4-yl)ethyl]acetamide has a molecular weight of 221.18 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(1-methylimidazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 6422110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).