2-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]morpholine

C7H9F3N4O — CID 105478802

IUPAC2-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]morpholine
SMILESFC(F)(F)c1n[nH]c(C2CNCCO2)n1
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)6-12-5(13-14-6)4-3-11-1-2-15-4/h4,11H,1-3H2,(H,12,13,14)
InChIKeyNFBCMZXLWGMMFS-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.48
Rot. Bonds1

About 2-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]morpholine

2-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]morpholine (PubChem CID 105478802) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]morpholine.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]morpholine
PubChem CID105478802
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name2-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]morpholine
SMILESFC(F)(F)c1n[nH]c(C2CNCCO2)n1
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)6-12-5(13-14-6)4-3-11-1-2-15-4/h4,11H,1-3H2,(H,12,13,14)
InChIKeyNFBCMZXLWGMMFS-UHFFFAOYSA-N
XLogP0.48
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]morpholine?
The IUPAC name of 2-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]morpholine (CID 105478802) is 2-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]morpholine.
What is the SMILES notation for 2-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]morpholine?
The canonical SMILES for 2-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]morpholine is FC(F)(F)c1n[nH]c(C2CNCCO2)n1.
What is the InChIKey of 2-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]morpholine?
The InChIKey is NFBCMZXLWGMMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c8-7(9,10)6-12-5(13-14-6)4-3-11-1-2-15-4/h4,11H,1-3H2,(H,12,13,14).
What are the key properties of 2-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]morpholine?
2-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]morpholine has a molecular weight of 222.17 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]morpholine is sourced from PubChem (CID 105478802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).