2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide

C10H7F3N4O — CID 63374599

IUPAC2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide
SMILESO=C(Nc1ccccc1-n1cncn1)C(F)(F)F
InChIInChI=1S/C10H7F3N4O/c11-10(12,13)9(18)16-7-3-1-2-4-8(7)17-6-14-5-15-17/h1-6H,(H,16,18)
InChIKeyUNJYGLMWACJRDV-UHFFFAOYSA-N
MW256.19 g/mol
LogP1.77
Rot. Bonds2

About 2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide

2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide (PubChem CID 63374599) has the molecular formula C10H7F3N4O and a molecular weight of 256.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide
PubChem CID63374599
Molecular FormulaC10H7F3N4O
Molecular Weight256.19 g/mol
Exact Mass256.06
IUPAC Name2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide
SMILESO=C(Nc1ccccc1-n1cncn1)C(F)(F)F
InChIInChI=1S/C10H7F3N4O/c11-10(12,13)9(18)16-7-3-1-2-4-8(7)17-6-14-5-15-17/h1-6H,(H,16,18)
InChIKeyUNJYGLMWACJRDV-UHFFFAOYSA-N
XLogP1.77
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 51.77
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-(1,2,4-triazol-1-yl)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide (CID 63374599) is 2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide is O=C(Nc1ccccc1-n1cncn1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide?
The InChIKey is UNJYGLMWACJRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4O/c11-10(12,13)9(18)16-7-3-1-2-4-8(7)17-6-14-5-15-17/h1-6H,(H,16,18).
What are the key properties of 2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide?
2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide has a molecular weight of 256.19 g/mol, XLogP of 1.77, 2 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-(1,2,4-triazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 63374599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).