4-(5-chloropyrimidin-2-yl)-2,2-dimethyl-6-(trifluoromethyl)morpholine

C11H13ClF3N3O — CID 171994559

IUPAC4-(5-chloropyrimidin-2-yl)-2,2-dimethyl-6-(trifluoromethyl)morpholine
SMILESCC1(C)CN(c2ncc(Cl)cn2)CC(C(F)(F)F)O1
InChIInChI=1S/C11H13ClF3N3O/c1-10(2)6-18(5-8(19-10)11(13,14)15)9-16-3-7(12)4-17-9/h3-4,8H,5-6H2,1-2H3
InChIKeyOGGCOFBKPPSXDO-UHFFFAOYSA-N
MW295.69 g/mol
LogP2.68
Rot. Bonds1

About 4-(5-chloropyrimidin-2-yl)-2,2-dimethyl-6-(trifluoromethyl)morpholine

4-(5-chloropyrimidin-2-yl)-2,2-dimethyl-6-(trifluoromethyl)morpholine (PubChem CID 171994559) has the molecular formula C11H13ClF3N3O and a molecular weight of 295.69 g/mol. Its IUPAC name is 4-(5-chloropyrimidin-2-yl)-2,2-dimethyl-6-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-(5-chloropyrimidin-2-yl)-2,2-dimethyl-6-(trifluoromethyl)morpholine
PubChem CID171994559
Molecular FormulaC11H13ClF3N3O
Molecular Weight295.69 g/mol
Exact Mass295.07
IUPAC Name4-(5-chloropyrimidin-2-yl)-2,2-dimethyl-6-(trifluoromethyl)morpholine
SMILESCC1(C)CN(c2ncc(Cl)cn2)CC(C(F)(F)F)O1
InChIInChI=1S/C11H13ClF3N3O/c1-10(2)6-18(5-8(19-10)11(13,14)15)9-16-3-7(12)4-17-9/h3-4,8H,5-6H2,1-2H3
InChIKeyOGGCOFBKPPSXDO-UHFFFAOYSA-N
XLogP2.68
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloropyrimidin-2-yl)-2,2-dimethyl-6-(trifluoromethyl)morpholine?
The IUPAC name of 4-(5-chloropyrimidin-2-yl)-2,2-dimethyl-6-(trifluoromethyl)morpholine (CID 171994559) is 4-(5-chloropyrimidin-2-yl)-2,2-dimethyl-6-(trifluoromethyl)morpholine.
What is the SMILES notation for 4-(5-chloropyrimidin-2-yl)-2,2-dimethyl-6-(trifluoromethyl)morpholine?
The canonical SMILES for 4-(5-chloropyrimidin-2-yl)-2,2-dimethyl-6-(trifluoromethyl)morpholine is CC1(C)CN(c2ncc(Cl)cn2)CC(C(F)(F)F)O1.
What is the InChIKey of 4-(5-chloropyrimidin-2-yl)-2,2-dimethyl-6-(trifluoromethyl)morpholine?
The InChIKey is OGGCOFBKPPSXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3O/c1-10(2)6-18(5-8(19-10)11(13,14)15)9-16-3-7(12)4-17-9/h3-4,8H,5-6H2,1-2H3.
What are the key properties of 4-(5-chloropyrimidin-2-yl)-2,2-dimethyl-6-(trifluoromethyl)morpholine?
4-(5-chloropyrimidin-2-yl)-2,2-dimethyl-6-(trifluoromethyl)morpholine has a molecular weight of 295.69 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloropyrimidin-2-yl)-2,2-dimethyl-6-(trifluoromethyl)morpholine is sourced from PubChem (CID 171994559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).