4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine

C9H10F3N3O — CID 2809218

IUPAC4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine
SMILESFC(F)(F)c1ccnc(N2CCOCC2)n1
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)7-1-2-13-8(14-7)15-3-5-16-6-4-15/h1-2H,3-6H2
InChIKeyJTFIFPYMOZOTGH-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.33
Rot. Bonds1

About 4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine

4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine (PubChem CID 2809218) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine
PubChem CID2809218
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine
SMILESFC(F)(F)c1ccnc(N2CCOCC2)n1
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)7-1-2-13-8(14-7)15-3-5-16-6-4-15/h1-2H,3-6H2
InChIKeyJTFIFPYMOZOTGH-UHFFFAOYSA-N
XLogP1.33
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine (CID 2809218) is 4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine is FC(F)(F)c1ccnc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The InChIKey is JTFIFPYMOZOTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c10-9(11,12)7-1-2-13-8(14-7)15-3-5-16-6-4-15/h1-2H,3-6H2.
What are the key properties of 4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine?
4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine has a molecular weight of 233.19 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 2809218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).