2,2,2-trifluoro-N-[2-(2-fluoro-1H-imidazol-5-yl)ethyl]acetamide

C7H7F4N3O — CID 574480

IUPAC2,2,2-trifluoro-N-[2-(2-fluoro-1H-imidazol-5-yl)ethyl]acetamide
SMILESO=C(NCCc1cnc(F)[nH]1)C(F)(F)F
InChIInChI=1S/C7H7F4N3O/c8-6-13-3-4(14-6)1-2-12-5(15)7(9,10)11/h3H,1-2H2,(H,12,15)(H,13,14)
InChIKeyOUFVFQGNGQGNIW-UHFFFAOYSA-N
MW225.14 g/mol
LogP0.77
Rot. Bonds3

About 2,2,2-trifluoro-N-[2-(2-fluoro-1H-imidazol-5-yl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(2-fluoro-1H-imidazol-5-yl)ethyl]acetamide (PubChem CID 574480) has the molecular formula C7H7F4N3O and a molecular weight of 225.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(2-fluoro-1H-imidazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(2-fluoro-1H-imidazol-5-yl)ethyl]acetamide
PubChem CID574480
Molecular FormulaC7H7F4N3O
Molecular Weight225.14 g/mol
Exact Mass225.05
IUPAC Name2,2,2-trifluoro-N-[2-(2-fluoro-1H-imidazol-5-yl)ethyl]acetamide
SMILESO=C(NCCc1cnc(F)[nH]1)C(F)(F)F
InChIInChI=1S/C7H7F4N3O/c8-6-13-3-4(14-6)1-2-12-5(15)7(9,10)11/h3H,1-2H2,(H,12,15)(H,13,14)
InChIKeyOUFVFQGNGQGNIW-UHFFFAOYSA-N
XLogP0.77
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.14
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(2-fluoro-1H-imidazol-5-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(2-fluoro-1H-imidazol-5-yl)ethyl]acetamide (CID 574480) is 2,2,2-trifluoro-N-[2-(2-fluoro-1H-imidazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(2-fluoro-1H-imidazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(2-fluoro-1H-imidazol-5-yl)ethyl]acetamide is O=C(NCCc1cnc(F)[nH]1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(2-fluoro-1H-imidazol-5-yl)ethyl]acetamide?
The InChIKey is OUFVFQGNGQGNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F4N3O/c8-6-13-3-4(14-6)1-2-12-5(15)7(9,10)11/h3H,1-2H2,(H,12,15)(H,13,14).
What are the key properties of 2,2,2-trifluoro-N-[2-(2-fluoro-1H-imidazol-5-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(2-fluoro-1H-imidazol-5-yl)ethyl]acetamide has a molecular weight of 225.14 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(2-fluoro-1H-imidazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 574480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).