5,5-dimethyl-2-(trifluoromethyl)morpholine

C7H12F3NO — CID 63901101

IUPAC5,5-dimethyl-2-(trifluoromethyl)morpholine
SMILESCC1(C)COC(C(F)(F)F)CN1
InChIInChI=1S/C7H12F3NO/c1-6(2)4-12-5(3-11-6)7(8,9)10/h5,11H,3-4H2,1-2H3
InChIKeyNQNKKYHLCVBMIV-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.32
Rot. Bonds

About 5,5-dimethyl-2-(trifluoromethyl)morpholine

5,5-dimethyl-2-(trifluoromethyl)morpholine (PubChem CID 63901101) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 5,5-dimethyl-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name5,5-dimethyl-2-(trifluoromethyl)morpholine
PubChem CID63901101
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name5,5-dimethyl-2-(trifluoromethyl)morpholine
SMILESCC1(C)COC(C(F)(F)F)CN1
InChIInChI=1S/C7H12F3NO/c1-6(2)4-12-5(3-11-6)7(8,9)10/h5,11H,3-4H2,1-2H3
InChIKeyNQNKKYHLCVBMIV-UHFFFAOYSA-N
XLogP1.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(trifluoromethyl)morpholine?
The IUPAC name of 5,5-dimethyl-2-(trifluoromethyl)morpholine (CID 63901101) is 5,5-dimethyl-2-(trifluoromethyl)morpholine.
What is the SMILES notation for 5,5-dimethyl-2-(trifluoromethyl)morpholine?
The canonical SMILES for 5,5-dimethyl-2-(trifluoromethyl)morpholine is CC1(C)COC(C(F)(F)F)CN1.
What is the InChIKey of 5,5-dimethyl-2-(trifluoromethyl)morpholine?
The InChIKey is NQNKKYHLCVBMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-6(2)4-12-5(3-11-6)7(8,9)10/h5,11H,3-4H2,1-2H3.
What are the key properties of 5,5-dimethyl-2-(trifluoromethyl)morpholine?
5,5-dimethyl-2-(trifluoromethyl)morpholine has a molecular weight of 183.17 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 63901101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).