tert-butyl 5-(aminomethyl)-2-(trifluoromethyl)morpholine-4-carboxylate

C11H19F3N2O3 — CID 155973732

IUPACtert-butyl 5-(aminomethyl)-2-(trifluoromethyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C(F)(F)F)OCC1CN
InChIInChI=1S/C11H19F3N2O3/c1-10(2,3)19-9(17)16-5-8(11(12,13)14)18-6-7(16)4-15/h7-8H,4-6,15H2,1-3H3
InChIKeyWUSUUTSVDDDLDJ-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.51
Rot. Bonds1

About tert-butyl 5-(aminomethyl)-2-(trifluoromethyl)morpholine-4-carboxylate

tert-butyl 5-(aminomethyl)-2-(trifluoromethyl)morpholine-4-carboxylate (PubChem CID 155973732) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is tert-butyl 5-(aminomethyl)-2-(trifluoromethyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(aminomethyl)-2-(trifluoromethyl)morpholine-4-carboxylate
PubChem CID155973732
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Nametert-butyl 5-(aminomethyl)-2-(trifluoromethyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C(F)(F)F)OCC1CN
InChIInChI=1S/C11H19F3N2O3/c1-10(2,3)19-9(17)16-5-8(11(12,13)14)18-6-7(16)4-15/h7-8H,4-6,15H2,1-3H3
InChIKeyWUSUUTSVDDDLDJ-UHFFFAOYSA-N
XLogP1.51
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(aminomethyl)-2-(trifluoromethyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 5-(aminomethyl)-2-(trifluoromethyl)morpholine-4-carboxylate (CID 155973732) is tert-butyl 5-(aminomethyl)-2-(trifluoromethyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 5-(aminomethyl)-2-(trifluoromethyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 5-(aminomethyl)-2-(trifluoromethyl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CC(C(F)(F)F)OCC1CN.
What is the InChIKey of tert-butyl 5-(aminomethyl)-2-(trifluoromethyl)morpholine-4-carboxylate?
The InChIKey is WUSUUTSVDDDLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-10(2,3)19-9(17)16-5-8(11(12,13)14)18-6-7(16)4-15/h7-8H,4-6,15H2,1-3H3.
What are the key properties of tert-butyl 5-(aminomethyl)-2-(trifluoromethyl)morpholine-4-carboxylate?
tert-butyl 5-(aminomethyl)-2-(trifluoromethyl)morpholine-4-carboxylate has a molecular weight of 284.28 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(aminomethyl)-2-(trifluoromethyl)morpholine-4-carboxylate is sourced from PubChem (CID 155973732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).