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

C8H11F3N4O — CID 83959690

IUPAC4-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]morpholine
SMILESFC(F)(F)c1n[nH]c(CN2CCOCC2)n1
InChIInChI=1S/C8H11F3N4O/c9-8(10,11)7-12-6(13-14-7)5-15-1-3-16-4-2-15/h1-5H2,(H,12,13,14)
InChIKeyRFAPRWPOFQKAKA-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.66
Rot. Bonds2

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

4-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]morpholine (PubChem CID 83959690) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 4-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]morpholine
PubChem CID83959690
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name4-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]morpholine
SMILESFC(F)(F)c1n[nH]c(CN2CCOCC2)n1
InChIInChI=1S/C8H11F3N4O/c9-8(10,11)7-12-6(13-14-7)5-15-1-3-16-4-2-15/h1-5H2,(H,12,13,14)
InChIKeyRFAPRWPOFQKAKA-UHFFFAOYSA-N
XLogP0.66
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]morpholine?
The IUPAC name of 4-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]morpholine (CID 83959690) is 4-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]morpholine?
The canonical SMILES for 4-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]morpholine is FC(F)(F)c1n[nH]c(CN2CCOCC2)n1.
What is the InChIKey of 4-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]morpholine?
The InChIKey is RFAPRWPOFQKAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c9-8(10,11)7-12-6(13-14-7)5-15-1-3-16-4-2-15/h1-5H2,(H,12,13,14).
What are the key properties of 4-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]morpholine?
4-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]morpholine has a molecular weight of 236.20 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]morpholine is sourced from PubChem (CID 83959690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).