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

C10H7F12NO3 — CID 118673909

IUPAC2,2,3,3,5,5,6,6-octafluoro-4-[1,3,3,3-tetrafluoro-2-(2-methoxyethoxy)prop-1-enyl]morpholine
SMILESCOCCOC(=C(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C10H7F12NO3/c1-24-2-3-25-4(6(12,13)14)5(11)23-7(15,16)9(19,20)26-10(21,22)8(23,17)18/h2-3H2,1H3
InChIKeyDPINTHGVJJJLGQ-UHFFFAOYSA-N
MW417.15 g/mol
LogP4.05
Rot. Bonds5

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

2,2,3,3,5,5,6,6-octafluoro-4-[1,3,3,3-tetrafluoro-2-(2-methoxyethoxy)prop-1-enyl]morpholine (PubChem CID 118673909) has the molecular formula C10H7F12NO3 and a molecular weight of 417.15 g/mol. Its IUPAC name is 2,2,3,3,5,5,6,6-octafluoro-4-[1,3,3,3-tetrafluoro-2-(2-methoxyethoxy)prop-1-enyl]morpholine.

Molecular Properties

Compound Name2,2,3,3,5,5,6,6-octafluoro-4-[1,3,3,3-tetrafluoro-2-(2-methoxyethoxy)prop-1-enyl]morpholine
PubChem CID118673909
Molecular FormulaC10H7F12NO3
Molecular Weight417.15 g/mol
Exact Mass417.02
IUPAC Name2,2,3,3,5,5,6,6-octafluoro-4-[1,3,3,3-tetrafluoro-2-(2-methoxyethoxy)prop-1-enyl]morpholine
SMILESCOCCOC(=C(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C10H7F12NO3/c1-24-2-3-25-4(6(12,13)14)5(11)23-7(15,16)9(19,20)26-10(21,22)8(23,17)18/h2-3H2,1H3
InChIKeyDPINTHGVJJJLGQ-UHFFFAOYSA-N
XLogP4.05
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.15
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-[1,3,3,3-tetrafluoro-2-(2-methoxyethoxy)prop-1-enyl]morpholine?
The IUPAC name of 2,2,3,3,5,5,6,6-octafluoro-4-[1,3,3,3-tetrafluoro-2-(2-methoxyethoxy)prop-1-enyl]morpholine (CID 118673909) is 2,2,3,3,5,5,6,6-octafluoro-4-[1,3,3,3-tetrafluoro-2-(2-methoxyethoxy)prop-1-enyl]morpholine.
What is the SMILES notation for 2,2,3,3,5,5,6,6-octafluoro-4-[1,3,3,3-tetrafluoro-2-(2-methoxyethoxy)prop-1-enyl]morpholine?
The canonical SMILES for 2,2,3,3,5,5,6,6-octafluoro-4-[1,3,3,3-tetrafluoro-2-(2-methoxyethoxy)prop-1-enyl]morpholine is COCCOC(=C(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,5,5,6,6-octafluoro-4-[1,3,3,3-tetrafluoro-2-(2-methoxyethoxy)prop-1-enyl]morpholine?
The InChIKey is DPINTHGVJJJLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F12NO3/c1-24-2-3-25-4(6(12,13)14)5(11)23-7(15,16)9(19,20)26-10(21,22)8(23,17)18/h2-3H2,1H3.
What are the key properties of 2,2,3,3,5,5,6,6-octafluoro-4-[1,3,3,3-tetrafluoro-2-(2-methoxyethoxy)prop-1-enyl]morpholine?
2,2,3,3,5,5,6,6-octafluoro-4-[1,3,3,3-tetrafluoro-2-(2-methoxyethoxy)prop-1-enyl]morpholine has a molecular weight of 417.15 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5,5,6,6-octafluoro-4-[1,3,3,3-tetrafluoro-2-(2-methoxyethoxy)prop-1-enyl]morpholine is sourced from PubChem (CID 118673909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).