2,2,2-trifluoro-N-[2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethyl]acetamide

C12H11F3N4O — CID 58597313

IUPAC2,2,2-trifluoro-N-[2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethyl]acetamide
SMILESO=C(NCCc1ccc(-c2ncn[nH]2)cc1)C(F)(F)F
InChIInChI=1S/C12H11F3N4O/c13-12(14,15)11(20)16-6-5-8-1-3-9(4-2-8)10-17-7-18-19-10/h1-4,7H,5-6H2,(H,16,20)(H,17,18,19)
InChIKeyRCPZOQUHQPYROL-UHFFFAOYSA-N
MW284.24 g/mol
LogP1.69
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethyl]acetamide

2,2,2-trifluoro-N-[2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethyl]acetamide (PubChem CID 58597313) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethyl]acetamide
PubChem CID58597313
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name2,2,2-trifluoro-N-[2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethyl]acetamide
SMILESO=C(NCCc1ccc(-c2ncn[nH]2)cc1)C(F)(F)F
InChIInChI=1S/C12H11F3N4O/c13-12(14,15)11(20)16-6-5-8-1-3-9(4-2-8)10-17-7-18-19-10/h1-4,7H,5-6H2,(H,16,20)(H,17,18,19)
InChIKeyRCPZOQUHQPYROL-UHFFFAOYSA-N
XLogP1.69
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethyl]acetamide (CID 58597313) is 2,2,2-trifluoro-N-[2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethyl]acetamide is O=C(NCCc1ccc(-c2ncn[nH]2)cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethyl]acetamide?
The InChIKey is RCPZOQUHQPYROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c13-12(14,15)11(20)16-6-5-8-1-3-9(4-2-8)10-17-7-18-19-10/h1-4,7H,5-6H2,(H,16,20)(H,17,18,19).
What are the key properties of 2,2,2-trifluoro-N-[2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethyl]acetamide?
2,2,2-trifluoro-N-[2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethyl]acetamide has a molecular weight of 284.24 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 58597313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).