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

C10H12F3N3O2 — CID 65165662

IUPAC2,2,2-trifluoro-1-[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]ethanone
SMILESO=C(c1cn(CCC2CCCO2)nn1)C(F)(F)F
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)9(17)8-6-16(15-14-8)4-3-7-2-1-5-18-7/h6-7H,1-5H2
InChIKeyVJNBGMSYYFEMLW-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.59
Rot. Bonds4

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

2,2,2-trifluoro-1-[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]ethanone (PubChem CID 65165662) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]ethanone
PubChem CID65165662
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name2,2,2-trifluoro-1-[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]ethanone
SMILESO=C(c1cn(CCC2CCCO2)nn1)C(F)(F)F
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)9(17)8-6-16(15-14-8)4-3-7-2-1-5-18-7/h6-7H,1-5H2
InChIKeyVJNBGMSYYFEMLW-UHFFFAOYSA-N
XLogP1.59
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 55137426
CID 55137426
CID 55210206
CID 55210206
CID 62579599
CID 62579599
CID 62579603
CID 62579603
CID 62579610
CID 62579610
CID 62579611
CID 62579611
CID 62579797
CID 62579797
CID 62579976
CID 62579976
CID 62579977
CID 62579977
CID 62579979
CID 62579979

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]ethanone (CID 65165662) is 2,2,2-trifluoro-1-[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]ethanone is O=C(c1cn(CCC2CCCO2)nn1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]ethanone?
The InChIKey is VJNBGMSYYFEMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c11-10(12,13)9(17)8-6-16(15-14-8)4-3-7-2-1-5-18-7/h6-7H,1-5H2.
What are the key properties of 2,2,2-trifluoro-1-[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]ethanone?
2,2,2-trifluoro-1-[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]ethanone has a molecular weight of 263.22 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]ethanone is sourced from PubChem (CID 65165662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).