2,2,2-trifluoro-1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]ethanone

C8H10F3N3O3 — CID 55091955

IUPAC2,2,2-trifluoro-1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]ethanone
SMILESO=C(c1cn(CCOCCO)nn1)C(F)(F)F
InChIInChI=1S/C8H10F3N3O3/c9-8(10,11)7(16)6-5-14(13-12-6)1-3-17-4-2-15/h5,15H,1-4H2
InChIKeyQJCCPFSBIAHSMO-UHFFFAOYSA-N
MW253.18 g/mol
LogP0.03
Rot. Bonds6

About 2,2,2-trifluoro-1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]ethanone

2,2,2-trifluoro-1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]ethanone (PubChem CID 55091955) has the molecular formula C8H10F3N3O3 and a molecular weight of 253.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]ethanone
PubChem CID55091955
Molecular FormulaC8H10F3N3O3
Molecular Weight253.18 g/mol
Exact Mass253.07
IUPAC Name2,2,2-trifluoro-1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]ethanone
SMILESO=C(c1cn(CCOCCO)nn1)C(F)(F)F
InChIInChI=1S/C8H10F3N3O3/c9-8(10,11)7(16)6-5-14(13-12-6)1-3-17-4-2-15/h5,15H,1-4H2
InChIKeyQJCCPFSBIAHSMO-UHFFFAOYSA-N
XLogP0.03
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]ethanone (CID 55091955) is 2,2,2-trifluoro-1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]ethanone is O=C(c1cn(CCOCCO)nn1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]ethanone?
The InChIKey is QJCCPFSBIAHSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O3/c9-8(10,11)7(16)6-5-14(13-12-6)1-3-17-4-2-15/h5,15H,1-4H2.
What are the key properties of 2,2,2-trifluoro-1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]ethanone?
2,2,2-trifluoro-1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]ethanone has a molecular weight of 253.18 g/mol, XLogP of 0.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]ethanone is sourced from PubChem (CID 55091955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).