2,2,3,3,5,5,6,6-octafluoro-4-[(Z)-1,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)prop-1-enyl]morpholine

C10H3F16NO2 — CID 118663158

IUPAC2,2,3,3,5,5,6,6-octafluoro-4-[(Z)-1,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)prop-1-enyl]morpholine
SMILESF/C(=C(\OCC(F)(F)C(F)F)C(F)(F)F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C10H3F16NO2/c11-3(2(6(16,17)18)28-1-5(14,15)4(12)13)27-7(19,20)9(23,24)29-10(25,26)8(27,21)22/h4H,1H2/b3-2+
InChIKeyKONQTULQTNWYCM-NSCUHMNNSA-N
MW473.11 g/mol
LogP5.31
Rot. Bonds5

About 2,2,3,3,5,5,6,6-octafluoro-4-[(Z)-1,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)prop-1-enyl]morpholine

2,2,3,3,5,5,6,6-octafluoro-4-[(Z)-1,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)prop-1-enyl]morpholine (PubChem CID 118663158) has the molecular formula C10H3F16NO2 and a molecular weight of 473.11 g/mol. Its IUPAC name is 2,2,3,3,5,5,6,6-octafluoro-4-[(Z)-1,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)prop-1-enyl]morpholine.

Molecular Properties

Compound Name2,2,3,3,5,5,6,6-octafluoro-4-[(Z)-1,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)prop-1-enyl]morpholine
PubChem CID118663158
Molecular FormulaC10H3F16NO2
Molecular Weight473.11 g/mol
Exact Mass472.99
IUPAC Name2,2,3,3,5,5,6,6-octafluoro-4-[(Z)-1,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)prop-1-enyl]morpholine
SMILESF/C(=C(\OCC(F)(F)C(F)F)C(F)(F)F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C10H3F16NO2/c11-3(2(6(16,17)18)28-1-5(14,15)4(12)13)27-7(19,20)9(23,24)29-10(25,26)8(27,21)22/h4H,1H2/b3-2+
InChIKeyKONQTULQTNWYCM-NSCUHMNNSA-N
XLogP5.31
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.11
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 2,2,3,3,5,5,6,6-octafluoro-4-[(Z)-1,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)prop-1-enyl]morpholine?
The IUPAC name of 2,2,3,3,5,5,6,6-octafluoro-4-[(Z)-1,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)prop-1-enyl]morpholine (CID 118663158) is 2,2,3,3,5,5,6,6-octafluoro-4-[(Z)-1,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)prop-1-enyl]morpholine.
What is the SMILES notation for 2,2,3,3,5,5,6,6-octafluoro-4-[(Z)-1,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)prop-1-enyl]morpholine?
The canonical SMILES for 2,2,3,3,5,5,6,6-octafluoro-4-[(Z)-1,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)prop-1-enyl]morpholine is F/C(=C(\OCC(F)(F)C(F)F)C(F)(F)F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,5,5,6,6-octafluoro-4-[(Z)-1,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)prop-1-enyl]morpholine?
The InChIKey is KONQTULQTNWYCM-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H3F16NO2/c11-3(2(6(16,17)18)28-1-5(14,15)4(12)13)27-7(19,20)9(23,24)29-10(25,26)8(27,21)22/h4H,1H2/b3-2+.
What are the key properties of 2,2,3,3,5,5,6,6-octafluoro-4-[(Z)-1,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)prop-1-enyl]morpholine?
2,2,3,3,5,5,6,6-octafluoro-4-[(Z)-1,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)prop-1-enyl]morpholine has a molecular weight of 473.11 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5,5,6,6-octafluoro-4-[(Z)-1,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)prop-1-enyl]morpholine is sourced from PubChem (CID 118663158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).