[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone

C15H21F3N4O3 — CID 128500176

IUPAC[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone
SMILESCC1(Cn2cc(C(=O)N3CC(C(F)(F)F)OC(C)(C)C3)nn2)COC1
InChIInChI=1S/C15H21F3N4O3/c1-13(2)6-21(5-11(25-13)15(16,17)18)12(23)10-4-22(20-19-10)7-14(3)8-24-9-14/h4,11H,5-9H2,1-3H3
InChIKeyKUMKHRSUUYFCPH-UHFFFAOYSA-N
MW362.35 g/mol
LogP1.50
Rot. Bonds3

About [2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone

[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone (PubChem CID 128500176) has the molecular formula C15H21F3N4O3 and a molecular weight of 362.35 g/mol. Its IUPAC name is [2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone.

Molecular Properties

Compound Name[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone
PubChem CID128500176
Molecular FormulaC15H21F3N4O3
Molecular Weight362.35 g/mol
Exact Mass362.16
IUPAC Name[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone
SMILESCC1(Cn2cc(C(=O)N3CC(C(F)(F)F)OC(C)(C)C3)nn2)COC1
InChIInChI=1S/C15H21F3N4O3/c1-13(2)6-21(5-11(25-13)15(16,17)18)12(23)10-4-22(20-19-10)7-14(3)8-24-9-14/h4,11H,5-9H2,1-3H3
InChIKeyKUMKHRSUUYFCPH-UHFFFAOYSA-N
XLogP1.50
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone?
The IUPAC name of [2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone (CID 128500176) is [2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone.
What is the SMILES notation for [2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone?
The canonical SMILES for [2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone is CC1(Cn2cc(C(=O)N3CC(C(F)(F)F)OC(C)(C)C3)nn2)COC1.
What is the InChIKey of [2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone?
The InChIKey is KUMKHRSUUYFCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O3/c1-13(2)6-21(5-11(25-13)15(16,17)18)12(23)10-4-22(20-19-10)7-14(3)8-24-9-14/h4,11H,5-9H2,1-3H3.
What are the key properties of [2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone?
[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone has a molecular weight of 362.35 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone is sourced from PubChem (CID 128500176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).