2,3,3,5,5,6-hexafluoro-2,6-bis(trifluoromethyl)-4-[1,2,2-trifluoro-2-(2,2,3,3-tetrafluoropropoxy)ethyl]morpholine

C11H4F19NO2 — CID 155217366

IUPAC2,3,3,5,5,6-hexafluoro-2,6-bis(trifluoromethyl)-4-[1,2,2-trifluoro-2-(2,2,3,3-tetrafluoropropoxy)ethyl]morpholine
SMILESFC(F)C(F)(F)COC(F)(F)C(F)N1C(F)(F)C(F)(C(F)(F)F)OC(F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C11H4F19NO2/c12-2(13)4(15,16)1-32-5(17,18)3(14)31-10(27,28)6(19,8(21,22)23)33-7(20,9(24,25)26)11(31,29)30/h2-3H,1H2
InChIKeyUPLDMIIYHNWBJY-UHFFFAOYSA-N
MW543.12 g/mol
LogP5.77
Rot. Bonds6

About 2,3,3,5,5,6-hexafluoro-2,6-bis(trifluoromethyl)-4-[1,2,2-trifluoro-2-(2,2,3,3-tetrafluoropropoxy)ethyl]morpholine

2,3,3,5,5,6-hexafluoro-2,6-bis(trifluoromethyl)-4-[1,2,2-trifluoro-2-(2,2,3,3-tetrafluoropropoxy)ethyl]morpholine (PubChem CID 155217366) has the molecular formula C11H4F19NO2 and a molecular weight of 543.12 g/mol. Its IUPAC name is 2,3,3,5,5,6-hexafluoro-2,6-bis(trifluoromethyl)-4-[1,2,2-trifluoro-2-(2,2,3,3-tetrafluoropropoxy)ethyl]morpholine.

Molecular Properties

Compound Name2,3,3,5,5,6-hexafluoro-2,6-bis(trifluoromethyl)-4-[1,2,2-trifluoro-2-(2,2,3,3-tetrafluoropropoxy)ethyl]morpholine
PubChem CID155217366
Molecular FormulaC11H4F19NO2
Molecular Weight543.12 g/mol
Exact Mass542.99
IUPAC Name2,3,3,5,5,6-hexafluoro-2,6-bis(trifluoromethyl)-4-[1,2,2-trifluoro-2-(2,2,3,3-tetrafluoropropoxy)ethyl]morpholine
SMILESFC(F)C(F)(F)COC(F)(F)C(F)N1C(F)(F)C(F)(C(F)(F)F)OC(F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C11H4F19NO2/c12-2(13)4(15,16)1-32-5(17,18)3(14)31-10(27,28)6(19,8(21,22)23)33-7(20,9(24,25)26)11(31,29)30/h2-3H,1H2
InChIKeyUPLDMIIYHNWBJY-UHFFFAOYSA-N
XLogP5.77
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.12
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,5,5,6-hexafluoro-2,6-bis(trifluoromethyl)-4-[1,2,2-trifluoro-2-(2,2,3,3-tetrafluoropropoxy)ethyl]morpholine?
The IUPAC name of 2,3,3,5,5,6-hexafluoro-2,6-bis(trifluoromethyl)-4-[1,2,2-trifluoro-2-(2,2,3,3-tetrafluoropropoxy)ethyl]morpholine (CID 155217366) is 2,3,3,5,5,6-hexafluoro-2,6-bis(trifluoromethyl)-4-[1,2,2-trifluoro-2-(2,2,3,3-tetrafluoropropoxy)ethyl]morpholine.
What is the SMILES notation for 2,3,3,5,5,6-hexafluoro-2,6-bis(trifluoromethyl)-4-[1,2,2-trifluoro-2-(2,2,3,3-tetrafluoropropoxy)ethyl]morpholine?
The canonical SMILES for 2,3,3,5,5,6-hexafluoro-2,6-bis(trifluoromethyl)-4-[1,2,2-trifluoro-2-(2,2,3,3-tetrafluoropropoxy)ethyl]morpholine is FC(F)C(F)(F)COC(F)(F)C(F)N1C(F)(F)C(F)(C(F)(F)F)OC(F)(C(F)(F)F)C1(F)F.
What is the InChIKey of 2,3,3,5,5,6-hexafluoro-2,6-bis(trifluoromethyl)-4-[1,2,2-trifluoro-2-(2,2,3,3-tetrafluoropropoxy)ethyl]morpholine?
The InChIKey is UPLDMIIYHNWBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4F19NO2/c12-2(13)4(15,16)1-32-5(17,18)3(14)31-10(27,28)6(19,8(21,22)23)33-7(20,9(24,25)26)11(31,29)30/h2-3H,1H2.
What are the key properties of 2,3,3,5,5,6-hexafluoro-2,6-bis(trifluoromethyl)-4-[1,2,2-trifluoro-2-(2,2,3,3-tetrafluoropropoxy)ethyl]morpholine?
2,3,3,5,5,6-hexafluoro-2,6-bis(trifluoromethyl)-4-[1,2,2-trifluoro-2-(2,2,3,3-tetrafluoropropoxy)ethyl]morpholine has a molecular weight of 543.12 g/mol, XLogP of 5.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,5,5,6-hexafluoro-2,6-bis(trifluoromethyl)-4-[1,2,2-trifluoro-2-(2,2,3,3-tetrafluoropropoxy)ethyl]morpholine is sourced from PubChem (CID 155217366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).