2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C8H11F3N4O2 — CID 80743465

IUPAC2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(O)c1cn(CC(=O)NCC(F)(F)F)nn1
InChIInChI=1S/C8H11F3N4O2/c1-5(16)6-2-15(14-13-6)3-7(17)12-4-8(9,10)11/h2,5,16H,3-4H2,1H3,(H,12,17)
InChIKeyDHPTYHNDIOVSCN-UHFFFAOYSA-N
MW252.20 g/mol
LogP0.01
Rot. Bonds4

About 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 80743465) has the molecular formula C8H11F3N4O2 and a molecular weight of 252.20 g/mol. Its IUPAC name is 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID80743465
Molecular FormulaC8H11F3N4O2
Molecular Weight252.20 g/mol
Exact Mass252.08
IUPAC Name2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(O)c1cn(CC(=O)NCC(F)(F)F)nn1
InChIInChI=1S/C8H11F3N4O2/c1-5(16)6-2-15(14-13-6)3-7(17)12-4-8(9,10)11/h2,5,16H,3-4H2,1H3,(H,12,17)
InChIKeyDHPTYHNDIOVSCN-UHFFFAOYSA-N
XLogP0.01
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 80743465) is 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CC(O)c1cn(CC(=O)NCC(F)(F)F)nn1.
What is the InChIKey of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is DHPTYHNDIOVSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2/c1-5(16)6-2-15(14-13-6)3-7(17)12-4-8(9,10)11/h2,5,16H,3-4H2,1H3,(H,12,17).
What are the key properties of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 252.20 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 80743465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).