4-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-2,6-bis(trifluoromethyl)morpholine

C16H14F17NO2 — CID 130427251

About 4-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-2,6-bis(trifluoromethyl)morpholine

4-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-2,6-bis(trifluoromethyl)morpholine (PubChem CID 130427251) has the molecular formula C16H14F17NO2 and a molecular weight of 575.26 g/mol. Its IUPAC name is 4-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-2,6-bis(trifluoromethyl)morpholine.

Molecular Properties

• Compound Name: 4-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-2,6-bis(trifluoromethyl)morpholine
• PubChem CID: 130427251
• Molecular Formula: C16H14F17NO2
• Molecular Weight: 575.26 g/mol
• Exact Mass: 575.08
• IUPAC Name: 4-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-2,6-bis(trifluoromethyl)morpholine
• SMILES: FC(C(F)(F)F)C(F)(F)C1CCC(C(F)(C(F)N2CC(C(F)(F)F)OC(C(F)(F)F)C2)C(F)(F)F)O1
• InChI: InChI=1S/C16H14F17NO2/c17-9(15(28,29)30)12(20,21)6-2-1-5(35-6)11(19,16(31,32)33)10(18)34-3-7(13(22,23)24)36-8(4-34)14(25,26)27/h5-10H,1-4H2
• InChIKey: MENHPYXQRVYMEJ-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.26
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-2,6-bis(trifluoromethyl)morpholine?

The IUPAC name of 4-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-2,6-bis(trifluoromethyl)morpholine (CID 130427251) is 4-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-2,6-bis(trifluoromethyl)morpholine.

What is the SMILES notation for 4-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-2,6-bis(trifluoromethyl)morpholine?

The canonical SMILES for 4-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-2,6-bis(trifluoromethyl)morpholine is FC(C(F)(F)F)C(F)(F)C1CCC(C(F)(C(F)N2CC(C(F)(F)F)OC(C(F)(F)F)C2)C(F)(F)F)O1.

What is the InChIKey of 4-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-2,6-bis(trifluoromethyl)morpholine?

The InChIKey is MENHPYXQRVYMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F17NO2/c17-9(15(28,29)30)12(20,21)6-2-1-5(35-6)11(19,16(31,32)33)10(18)34-3-7(13(22,23)24)36-8(4-34)14(25,26)27/h5-10H,1-4H2.

What are the key properties of 4-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-2,6-bis(trifluoromethyl)morpholine?

4-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-2,6-bis(trifluoromethyl)morpholine has a molecular weight of 575.26 g/mol, XLogP of 5.83, 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-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-2,6-bis(trifluoromethyl)morpholine is sourced from PubChem (CID 130427251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).