4,4-dimethyl-2-(2,2,2-trifluoroethoxy)morpholin-4-ium

C8H15F3NO2+ — CID 71001790

IUPAC4,4-dimethyl-2-(2,2,2-trifluoroethoxy)morpholin-4-ium
SMILESC[N+]1(C)CCOC(OCC(F)(F)F)C1
InChIInChI=1S/C8H15F3NO2/c1-12(2)3-4-13-7(5-12)14-6-8(9,10)11/h7H,3-6H2,1-2H3/q+1
InChIKeyLZXPULDAMBXUAP-UHFFFAOYSA-N
MW214.21 g/mol
LogP1.00
Rot. Bonds2

About 4,4-dimethyl-2-(2,2,2-trifluoroethoxy)morpholin-4-ium

4,4-dimethyl-2-(2,2,2-trifluoroethoxy)morpholin-4-ium (PubChem CID 71001790) has the molecular formula C8H15F3NO2+ and a molecular weight of 214.21 g/mol. Its IUPAC name is 4,4-dimethyl-2-(2,2,2-trifluoroethoxy)morpholin-4-ium.

Molecular Properties

Compound Name4,4-dimethyl-2-(2,2,2-trifluoroethoxy)morpholin-4-ium
PubChem CID71001790
Molecular FormulaC8H15F3NO2+
Molecular Weight214.21 g/mol
Exact Mass214.10
IUPAC Name4,4-dimethyl-2-(2,2,2-trifluoroethoxy)morpholin-4-ium
SMILESC[N+]1(C)CCOC(OCC(F)(F)F)C1
InChIInChI=1S/C8H15F3NO2/c1-12(2)3-4-13-7(5-12)14-6-8(9,10)11/h7H,3-6H2,1-2H3/q+1
InChIKeyLZXPULDAMBXUAP-UHFFFAOYSA-N
XLogP1.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(2,2,2-trifluoroethoxy)morpholin-4-ium?
The IUPAC name of 4,4-dimethyl-2-(2,2,2-trifluoroethoxy)morpholin-4-ium (CID 71001790) is 4,4-dimethyl-2-(2,2,2-trifluoroethoxy)morpholin-4-ium.
What is the SMILES notation for 4,4-dimethyl-2-(2,2,2-trifluoroethoxy)morpholin-4-ium?
The canonical SMILES for 4,4-dimethyl-2-(2,2,2-trifluoroethoxy)morpholin-4-ium is C[N+]1(C)CCOC(OCC(F)(F)F)C1.
What is the InChIKey of 4,4-dimethyl-2-(2,2,2-trifluoroethoxy)morpholin-4-ium?
The InChIKey is LZXPULDAMBXUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3NO2/c1-12(2)3-4-13-7(5-12)14-6-8(9,10)11/h7H,3-6H2,1-2H3/q+1.
What are the key properties of 4,4-dimethyl-2-(2,2,2-trifluoroethoxy)morpholin-4-ium?
4,4-dimethyl-2-(2,2,2-trifluoroethoxy)morpholin-4-ium has a molecular weight of 214.21 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(2,2,2-trifluoroethoxy)morpholin-4-ium is sourced from PubChem (CID 71001790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).