5-propan-2-yl-2-(trifluoromethyl)morpholine

C8H14F3NO — CID 79246933

IUPAC5-propan-2-yl-2-(trifluoromethyl)morpholine
SMILESCC(C)C1COC(C(F)(F)F)CN1
InChIInChI=1S/C8H14F3NO/c1-5(2)6-4-13-7(3-12-6)8(9,10)11/h5-7,12H,3-4H2,1-2H3
InChIKeyJECKUEJVOVIRSW-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.56
Rot. Bonds1

About 5-propan-2-yl-2-(trifluoromethyl)morpholine

5-propan-2-yl-2-(trifluoromethyl)morpholine (PubChem CID 79246933) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 5-propan-2-yl-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name5-propan-2-yl-2-(trifluoromethyl)morpholine
PubChem CID79246933
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name5-propan-2-yl-2-(trifluoromethyl)morpholine
SMILESCC(C)C1COC(C(F)(F)F)CN1
InChIInChI=1S/C8H14F3NO/c1-5(2)6-4-13-7(3-12-6)8(9,10)11/h5-7,12H,3-4H2,1-2H3
InChIKeyJECKUEJVOVIRSW-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-(trifluoromethyl)morpholine?
The IUPAC name of 5-propan-2-yl-2-(trifluoromethyl)morpholine (CID 79246933) is 5-propan-2-yl-2-(trifluoromethyl)morpholine.
What is the SMILES notation for 5-propan-2-yl-2-(trifluoromethyl)morpholine?
The canonical SMILES for 5-propan-2-yl-2-(trifluoromethyl)morpholine is CC(C)C1COC(C(F)(F)F)CN1.
What is the InChIKey of 5-propan-2-yl-2-(trifluoromethyl)morpholine?
The InChIKey is JECKUEJVOVIRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-5(2)6-4-13-7(3-12-6)8(9,10)11/h5-7,12H,3-4H2,1-2H3.
What are the key properties of 5-propan-2-yl-2-(trifluoromethyl)morpholine?
5-propan-2-yl-2-(trifluoromethyl)morpholine has a molecular weight of 197.20 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 79246933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).