2,2,3,3,5,5,6,6-octafluoro-4-(2,3,3,4,4,5,5-heptafluoropent-1-enyl)morpholine

C9H2F15NO — CID 166464827

IUPAC2,2,3,3,5,5,6,6-octafluoro-4-(2,3,3,4,4,5,5-heptafluoropent-1-enyl)morpholine
SMILESFC(=CN1C(F)(F)C(F)(F)OC(F)(F)C1(F)F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C9H2F15NO/c10-2(4(13,14)5(15,16)3(11)12)1-25-6(17,18)8(21,22)26-9(23,24)7(25,19)20/h1,3H
InChIKeyFELKCXVJBAAPPH-UHFFFAOYSA-N
MW425.09 g/mol
LogP5.04
Rot. Bonds4

About 2,2,3,3,5,5,6,6-octafluoro-4-(2,3,3,4,4,5,5-heptafluoropent-1-enyl)morpholine

2,2,3,3,5,5,6,6-octafluoro-4-(2,3,3,4,4,5,5-heptafluoropent-1-enyl)morpholine (PubChem CID 166464827) has the molecular formula C9H2F15NO and a molecular weight of 425.09 g/mol. Its IUPAC name is 2,2,3,3,5,5,6,6-octafluoro-4-(2,3,3,4,4,5,5-heptafluoropent-1-enyl)morpholine.

Molecular Properties

Compound Name2,2,3,3,5,5,6,6-octafluoro-4-(2,3,3,4,4,5,5-heptafluoropent-1-enyl)morpholine
PubChem CID166464827
Molecular FormulaC9H2F15NO
Molecular Weight425.09 g/mol
Exact Mass424.99
IUPAC Name2,2,3,3,5,5,6,6-octafluoro-4-(2,3,3,4,4,5,5-heptafluoropent-1-enyl)morpholine
SMILESFC(=CN1C(F)(F)C(F)(F)OC(F)(F)C1(F)F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C9H2F15NO/c10-2(4(13,14)5(15,16)3(11)12)1-25-6(17,18)8(21,22)26-9(23,24)7(25,19)20/h1,3H
InChIKeyFELKCXVJBAAPPH-UHFFFAOYSA-N
XLogP5.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.09
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,3,3,5,5,6,6-octafluoro-4-(2,3,3,4,4,5,5-heptafluoropent-1-enyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,5,5,6,6-octafluoro-4-(2,3,3,4,4,5,5-heptafluoropent-1-enyl)morpholine?
The IUPAC name of 2,2,3,3,5,5,6,6-octafluoro-4-(2,3,3,4,4,5,5-heptafluoropent-1-enyl)morpholine (CID 166464827) is 2,2,3,3,5,5,6,6-octafluoro-4-(2,3,3,4,4,5,5-heptafluoropent-1-enyl)morpholine.
What is the SMILES notation for 2,2,3,3,5,5,6,6-octafluoro-4-(2,3,3,4,4,5,5-heptafluoropent-1-enyl)morpholine?
The canonical SMILES for 2,2,3,3,5,5,6,6-octafluoro-4-(2,3,3,4,4,5,5-heptafluoropent-1-enyl)morpholine is FC(=CN1C(F)(F)C(F)(F)OC(F)(F)C1(F)F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3,5,5,6,6-octafluoro-4-(2,3,3,4,4,5,5-heptafluoropent-1-enyl)morpholine?
The InChIKey is FELKCXVJBAAPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2F15NO/c10-2(4(13,14)5(15,16)3(11)12)1-25-6(17,18)8(21,22)26-9(23,24)7(25,19)20/h1,3H.
What are the key properties of 2,2,3,3,5,5,6,6-octafluoro-4-(2,3,3,4,4,5,5-heptafluoropent-1-enyl)morpholine?
2,2,3,3,5,5,6,6-octafluoro-4-(2,3,3,4,4,5,5-heptafluoropent-1-enyl)morpholine has a molecular weight of 425.09 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5,5,6,6-octafluoro-4-(2,3,3,4,4,5,5-heptafluoropent-1-enyl)morpholine is sourced from PubChem (CID 166464827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).