4-[1-(5,5-difluoro-4-propan-2-yloxan-2-yl)propan-2-yl]morpholine

C15H27F2NO2 — CID 139319763

IUPAC4-[1-(5,5-difluoro-4-propan-2-yloxan-2-yl)propan-2-yl]morpholine
SMILESCC(C)C1CC(CC(C)N2CCOCC2)OCC1(F)F
InChIInChI=1S/C15H27F2NO2/c1-11(2)14-9-13(20-10-15(14,16)17)8-12(3)18-4-6-19-7-5-18/h11-14H,4-10H2,1-3H3
InChIKeyGVBGVASUPAUBSG-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.79
Rot. Bonds4

About 4-[1-(5,5-difluoro-4-propan-2-yloxan-2-yl)propan-2-yl]morpholine

4-[1-(5,5-difluoro-4-propan-2-yloxan-2-yl)propan-2-yl]morpholine (PubChem CID 139319763) has the molecular formula C15H27F2NO2 and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-[1-(5,5-difluoro-4-propan-2-yloxan-2-yl)propan-2-yl]morpholine.

Molecular Properties

Compound Name4-[1-(5,5-difluoro-4-propan-2-yloxan-2-yl)propan-2-yl]morpholine
PubChem CID139319763
Molecular FormulaC15H27F2NO2
Molecular Weight291.38 g/mol
Exact Mass291.20
IUPAC Name4-[1-(5,5-difluoro-4-propan-2-yloxan-2-yl)propan-2-yl]morpholine
SMILESCC(C)C1CC(CC(C)N2CCOCC2)OCC1(F)F
InChIInChI=1S/C15H27F2NO2/c1-11(2)14-9-13(20-10-15(14,16)17)8-12(3)18-4-6-19-7-5-18/h11-14H,4-10H2,1-3H3
InChIKeyGVBGVASUPAUBSG-UHFFFAOYSA-N
XLogP2.79
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(5,5-difluoro-4-propan-2-yloxan-2-yl)propan-2-yl]morpholine?
The IUPAC name of 4-[1-(5,5-difluoro-4-propan-2-yloxan-2-yl)propan-2-yl]morpholine (CID 139319763) is 4-[1-(5,5-difluoro-4-propan-2-yloxan-2-yl)propan-2-yl]morpholine.
What is the SMILES notation for 4-[1-(5,5-difluoro-4-propan-2-yloxan-2-yl)propan-2-yl]morpholine?
The canonical SMILES for 4-[1-(5,5-difluoro-4-propan-2-yloxan-2-yl)propan-2-yl]morpholine is CC(C)C1CC(CC(C)N2CCOCC2)OCC1(F)F.
What is the InChIKey of 4-[1-(5,5-difluoro-4-propan-2-yloxan-2-yl)propan-2-yl]morpholine?
The InChIKey is GVBGVASUPAUBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2NO2/c1-11(2)14-9-13(20-10-15(14,16)17)8-12(3)18-4-6-19-7-5-18/h11-14H,4-10H2,1-3H3.
What are the key properties of 4-[1-(5,5-difluoro-4-propan-2-yloxan-2-yl)propan-2-yl]morpholine?
4-[1-(5,5-difluoro-4-propan-2-yloxan-2-yl)propan-2-yl]morpholine has a molecular weight of 291.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5,5-difluoro-4-propan-2-yloxan-2-yl)propan-2-yl]morpholine is sourced from PubChem (CID 139319763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).