4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]morpholine

C15H18F11NO2 — CID 130427270

IUPAC4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]morpholine
SMILESFC(C(F)(F)F)C(F)(F)C1CCCC(C(F)(C(F)N2CCOCC2)C(F)(F)F)O1
InChIInChI=1S/C15H18F11NO2/c16-10(14(21,22)23)13(19,20)9-3-1-2-8(29-9)12(18,15(24,25)26)11(17)27-4-6-28-7-5-27/h8-11H,1-7H2
InChIKeyOEYXWSFFGPCTSQ-UHFFFAOYSA-N
MW453.29 g/mol
LogP4.36
Rot. Bonds5

About 4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]morpholine

4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]morpholine (PubChem CID 130427270) has the molecular formula C15H18F11NO2 and a molecular weight of 453.29 g/mol. Its IUPAC name is 4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]morpholine
PubChem CID130427270
Molecular FormulaC15H18F11NO2
Molecular Weight453.29 g/mol
Exact Mass453.12
IUPAC Name4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]morpholine
SMILESFC(C(F)(F)F)C(F)(F)C1CCCC(C(F)(C(F)N2CCOCC2)C(F)(F)F)O1
InChIInChI=1S/C15H18F11NO2/c16-10(14(21,22)23)13(19,20)9-3-1-2-8(29-9)12(18,15(24,25)26)11(17)27-4-6-28-7-5-27/h8-11H,1-7H2
InChIKeyOEYXWSFFGPCTSQ-UHFFFAOYSA-N
XLogP4.36
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.29
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]morpholine?
The IUPAC name of 4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]morpholine (CID 130427270) is 4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]morpholine.
What is the SMILES notation for 4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]morpholine?
The canonical SMILES for 4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]morpholine is FC(C(F)(F)F)C(F)(F)C1CCCC(C(F)(C(F)N2CCOCC2)C(F)(F)F)O1.
What is the InChIKey of 4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]morpholine?
The InChIKey is OEYXWSFFGPCTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F11NO2/c16-10(14(21,22)23)13(19,20)9-3-1-2-8(29-9)12(18,15(24,25)26)11(17)27-4-6-28-7-5-27/h8-11H,1-7H2.
What are the key properties of 4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]morpholine?
4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]morpholine has a molecular weight of 453.29 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]morpholine is sourced from PubChem (CID 130427270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).