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

C9H7F6N3O2 — CID 91730492

IUPAC2,2,2-trifluoro-N-[2-[1-(2,2,2-trifluoroacetyl)imidazol-4-yl]ethyl]acetamide
SMILESO=C(NCCc1cn(C(=O)C(F)(F)F)cn1)C(F)(F)F
InChIInChI=1S/C9H7F6N3O2/c10-8(11,12)6(19)16-2-1-5-3-18(4-17-5)7(20)9(13,14)15/h3-4H,1-2H2,(H,16,19)
InChIKeyCHFXKZMESFCYDT-UHFFFAOYSA-N
MW303.16 g/mol
LogP1.31
Rot. Bonds3

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

2,2,2-trifluoro-N-[2-[1-(2,2,2-trifluoroacetyl)imidazol-4-yl]ethyl]acetamide (PubChem CID 91730492) has the molecular formula C9H7F6N3O2 and a molecular weight of 303.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[1-(2,2,2-trifluoroacetyl)imidazol-4-yl]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[1-(2,2,2-trifluoroacetyl)imidazol-4-yl]ethyl]acetamide
PubChem CID91730492
Molecular FormulaC9H7F6N3O2
Molecular Weight303.16 g/mol
Exact Mass303.04
IUPAC Name2,2,2-trifluoro-N-[2-[1-(2,2,2-trifluoroacetyl)imidazol-4-yl]ethyl]acetamide
SMILESO=C(NCCc1cn(C(=O)C(F)(F)F)cn1)C(F)(F)F
InChIInChI=1S/C9H7F6N3O2/c10-8(11,12)6(19)16-2-1-5-3-18(4-17-5)7(20)9(13,14)15/h3-4H,1-2H2,(H,16,19)
InChIKeyCHFXKZMESFCYDT-UHFFFAOYSA-N
XLogP1.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[1-(2,2,2-trifluoroacetyl)imidazol-4-yl]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[1-(2,2,2-trifluoroacetyl)imidazol-4-yl]ethyl]acetamide (CID 91730492) is 2,2,2-trifluoro-N-[2-[1-(2,2,2-trifluoroacetyl)imidazol-4-yl]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[1-(2,2,2-trifluoroacetyl)imidazol-4-yl]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[1-(2,2,2-trifluoroacetyl)imidazol-4-yl]ethyl]acetamide is O=C(NCCc1cn(C(=O)C(F)(F)F)cn1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[1-(2,2,2-trifluoroacetyl)imidazol-4-yl]ethyl]acetamide?
The InChIKey is CHFXKZMESFCYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6N3O2/c10-8(11,12)6(19)16-2-1-5-3-18(4-17-5)7(20)9(13,14)15/h3-4H,1-2H2,(H,16,19).
What are the key properties of 2,2,2-trifluoro-N-[2-[1-(2,2,2-trifluoroacetyl)imidazol-4-yl]ethyl]acetamide?
2,2,2-trifluoro-N-[2-[1-(2,2,2-trifluoroacetyl)imidazol-4-yl]ethyl]acetamide has a molecular weight of 303.16 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[1-(2,2,2-trifluoroacetyl)imidazol-4-yl]ethyl]acetamide is sourced from PubChem (CID 91730492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).