3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine

C8H11F3N4O — CID 110209422

IUPAC3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine
SMILESFC(F)(F)Cn1cnc(C2COCCN2)n1
InChIInChI=1S/C8H11F3N4O/c9-8(10,11)4-15-5-13-7(14-15)6-3-16-2-1-12-6/h5-6,12H,1-4H2
InChIKeySIGWKRUHMRZNSL-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.50
Rot. Bonds2

About 3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine

3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine (PubChem CID 110209422) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine.

Molecular Properties

Compound Name3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine
PubChem CID110209422
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine
SMILESFC(F)(F)Cn1cnc(C2COCCN2)n1
InChIInChI=1S/C8H11F3N4O/c9-8(10,11)4-15-5-13-7(14-15)6-3-16-2-1-12-6/h5-6,12H,1-4H2
InChIKeySIGWKRUHMRZNSL-UHFFFAOYSA-N
XLogP0.50
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine?
The IUPAC name of 3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine (CID 110209422) is 3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine.
What is the SMILES notation for 3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine?
The canonical SMILES for 3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine is FC(F)(F)Cn1cnc(C2COCCN2)n1.
What is the InChIKey of 3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine?
The InChIKey is SIGWKRUHMRZNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c9-8(10,11)4-15-5-13-7(14-15)6-3-16-2-1-12-6/h5-6,12H,1-4H2.
What are the key properties of 3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine?
3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine has a molecular weight of 236.20 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine is sourced from PubChem (CID 110209422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).