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

C9H16F3NO — CID 63901507

IUPAC5,5-diethyl-2-(trifluoromethyl)morpholine
SMILESCCC1(CC)COC(C(F)(F)F)CN1
InChIInChI=1S/C9H16F3NO/c1-3-8(4-2)6-14-7(5-13-8)9(10,11)12/h7,13H,3-6H2,1-2H3
InChIKeyIUXUJRVCEXIYTN-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.10
Rot. Bonds2

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

5,5-diethyl-2-(trifluoromethyl)morpholine (PubChem CID 63901507) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 5,5-diethyl-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name5,5-diethyl-2-(trifluoromethyl)morpholine
PubChem CID63901507
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name5,5-diethyl-2-(trifluoromethyl)morpholine
SMILESCCC1(CC)COC(C(F)(F)F)CN1
InChIInChI=1S/C9H16F3NO/c1-3-8(4-2)6-14-7(5-13-8)9(10,11)12/h7,13H,3-6H2,1-2H3
InChIKeyIUXUJRVCEXIYTN-UHFFFAOYSA-N
XLogP2.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-2-(trifluoromethyl)morpholine?
The IUPAC name of 5,5-diethyl-2-(trifluoromethyl)morpholine (CID 63901507) is 5,5-diethyl-2-(trifluoromethyl)morpholine.
What is the SMILES notation for 5,5-diethyl-2-(trifluoromethyl)morpholine?
The canonical SMILES for 5,5-diethyl-2-(trifluoromethyl)morpholine is CCC1(CC)COC(C(F)(F)F)CN1.
What is the InChIKey of 5,5-diethyl-2-(trifluoromethyl)morpholine?
The InChIKey is IUXUJRVCEXIYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-3-8(4-2)6-14-7(5-13-8)9(10,11)12/h7,13H,3-6H2,1-2H3.
What are the key properties of 5,5-diethyl-2-(trifluoromethyl)morpholine?
5,5-diethyl-2-(trifluoromethyl)morpholine has a molecular weight of 211.23 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 63901507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).