2,2,3,3,5,5,6,6-octafluoro-4-heptylmorpholine

C11H15F8NO — CID 19783539

IUPAC2,2,3,3,5,5,6,6-octafluoro-4-heptylmorpholine
SMILESCCCCCCCN1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C11H15F8NO/c1-2-3-4-5-6-7-20-8(12,13)10(16,17)21-11(18,19)9(20,14)15/h2-7H2,1H3
InChIKeySZAYYJCOZFBGKV-UHFFFAOYSA-N
MW329.23 g/mol
LogP4.66
Rot. Bonds6

About 2,2,3,3,5,5,6,6-octafluoro-4-heptylmorpholine

2,2,3,3,5,5,6,6-octafluoro-4-heptylmorpholine (PubChem CID 19783539) has the molecular formula C11H15F8NO and a molecular weight of 329.23 g/mol. Its IUPAC name is 2,2,3,3,5,5,6,6-octafluoro-4-heptylmorpholine.

Molecular Properties

Compound Name2,2,3,3,5,5,6,6-octafluoro-4-heptylmorpholine
PubChem CID19783539
Molecular FormulaC11H15F8NO
Molecular Weight329.23 g/mol
Exact Mass329.10
IUPAC Name2,2,3,3,5,5,6,6-octafluoro-4-heptylmorpholine
SMILESCCCCCCCN1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C11H15F8NO/c1-2-3-4-5-6-7-20-8(12,13)10(16,17)21-11(18,19)9(20,14)15/h2-7H2,1H3
InChIKeySZAYYJCOZFBGKV-UHFFFAOYSA-N
XLogP4.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-heptylmorpholine 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-heptylmorpholine?
The IUPAC name of 2,2,3,3,5,5,6,6-octafluoro-4-heptylmorpholine (CID 19783539) is 2,2,3,3,5,5,6,6-octafluoro-4-heptylmorpholine.
What is the SMILES notation for 2,2,3,3,5,5,6,6-octafluoro-4-heptylmorpholine?
The canonical SMILES for 2,2,3,3,5,5,6,6-octafluoro-4-heptylmorpholine is CCCCCCCN1C(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-heptylmorpholine?
The InChIKey is SZAYYJCOZFBGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F8NO/c1-2-3-4-5-6-7-20-8(12,13)10(16,17)21-11(18,19)9(20,14)15/h2-7H2,1H3.
What are the key properties of 2,2,3,3,5,5,6,6-octafluoro-4-heptylmorpholine?
2,2,3,3,5,5,6,6-octafluoro-4-heptylmorpholine has a molecular weight of 329.23 g/mol, XLogP of 4.66, 6 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-heptylmorpholine is sourced from PubChem (CID 19783539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).