2,2,2-trifluoro-1-[1-(2-morpholin-4-ylethyl)triazol-4-yl]ethanone

C10H13F3N4O2 — CID 62580169

IUPAC2,2,2-trifluoro-1-[1-(2-morpholin-4-ylethyl)triazol-4-yl]ethanone
SMILESO=C(c1cn(CCN2CCOCC2)nn1)C(F)(F)F
InChIInChI=1S/C10H13F3N4O2/c11-10(12,13)9(18)8-7-17(15-14-8)2-1-16-3-5-19-6-4-16/h7H,1-6H2
InChIKeyANOLFQFBORIWCO-UHFFFAOYSA-N
MW278.23 g/mol
LogP0.36
Rot. Bonds4

About 2,2,2-trifluoro-1-[1-(2-morpholin-4-ylethyl)triazol-4-yl]ethanone

2,2,2-trifluoro-1-[1-(2-morpholin-4-ylethyl)triazol-4-yl]ethanone (PubChem CID 62580169) has the molecular formula C10H13F3N4O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-(2-morpholin-4-ylethyl)triazol-4-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-(2-morpholin-4-ylethyl)triazol-4-yl]ethanone
PubChem CID62580169
Molecular FormulaC10H13F3N4O2
Molecular Weight278.23 g/mol
Exact Mass278.10
IUPAC Name2,2,2-trifluoro-1-[1-(2-morpholin-4-ylethyl)triazol-4-yl]ethanone
SMILESO=C(c1cn(CCN2CCOCC2)nn1)C(F)(F)F
InChIInChI=1S/C10H13F3N4O2/c11-10(12,13)9(18)8-7-17(15-14-8)2-1-16-3-5-19-6-4-16/h7H,1-6H2
InChIKeyANOLFQFBORIWCO-UHFFFAOYSA-N
XLogP0.36
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[1-(2-morpholin-4-ylethyl)triazol-4-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[1-(2-morpholin-4-ylethyl)triazol-4-yl]ethanone (CID 62580169) is 2,2,2-trifluoro-1-[1-(2-morpholin-4-ylethyl)triazol-4-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-(2-morpholin-4-ylethyl)triazol-4-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[1-(2-morpholin-4-ylethyl)triazol-4-yl]ethanone is O=C(c1cn(CCN2CCOCC2)nn1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[1-(2-morpholin-4-ylethyl)triazol-4-yl]ethanone?
The InChIKey is ANOLFQFBORIWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2/c11-10(12,13)9(18)8-7-17(15-14-8)2-1-16-3-5-19-6-4-16/h7H,1-6H2.
What are the key properties of 2,2,2-trifluoro-1-[1-(2-morpholin-4-ylethyl)triazol-4-yl]ethanone?
2,2,2-trifluoro-1-[1-(2-morpholin-4-ylethyl)triazol-4-yl]ethanone has a molecular weight of 278.23 g/mol, XLogP of 0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[1-(2-morpholin-4-ylethyl)triazol-4-yl]ethanone is sourced from PubChem (CID 62580169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).