2,2,3,3,4,4,5,5-octafluoropentyl 3-morpholin-4-ylpropanoate

C12H15F8NO3 — CID 59855627

IUPAC2,2,3,3,4,4,5,5-octafluoropentyl 3-morpholin-4-ylpropanoate
SMILESO=C(CCN1CCOCC1)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C12H15F8NO3/c13-9(14)11(17,18)12(19,20)10(15,16)7-24-8(22)1-2-21-3-5-23-6-4-21/h9H,1-7H2
InChIKeyLDUULIHXPPVHRS-UHFFFAOYSA-N
MW373.24 g/mol
LogP2.42
Rot. Bonds8

About 2,2,3,3,4,4,5,5-octafluoropentyl 3-morpholin-4-ylpropanoate

2,2,3,3,4,4,5,5-octafluoropentyl 3-morpholin-4-ylpropanoate (PubChem CID 59855627) has the molecular formula C12H15F8NO3 and a molecular weight of 373.24 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoropentyl 3-morpholin-4-ylpropanoate.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoropentyl 3-morpholin-4-ylpropanoate
PubChem CID59855627
Molecular FormulaC12H15F8NO3
Molecular Weight373.24 g/mol
Exact Mass373.09
IUPAC Name2,2,3,3,4,4,5,5-octafluoropentyl 3-morpholin-4-ylpropanoate
SMILESO=C(CCN1CCOCC1)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C12H15F8NO3/c13-9(14)11(17,18)12(19,20)10(15,16)7-24-8(22)1-2-21-3-5-23-6-4-21/h9H,1-7H2
InChIKeyLDUULIHXPPVHRS-UHFFFAOYSA-N
XLogP2.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,5,5-octafluoropentyl 3-morpholin-4-ylpropanoate 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 2,2,3,3,4,4,5,5-octafluoropentyl 3-morpholin-4-ylpropanoate?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoropentyl 3-morpholin-4-ylpropanoate (CID 59855627) is 2,2,3,3,4,4,5,5-octafluoropentyl 3-morpholin-4-ylpropanoate.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoropentyl 3-morpholin-4-ylpropanoate?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoropentyl 3-morpholin-4-ylpropanoate is O=C(CCN1CCOCC1)OCC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoropentyl 3-morpholin-4-ylpropanoate?
The InChIKey is LDUULIHXPPVHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F8NO3/c13-9(14)11(17,18)12(19,20)10(15,16)7-24-8(22)1-2-21-3-5-23-6-4-21/h9H,1-7H2.
What are the key properties of 2,2,3,3,4,4,5,5-octafluoropentyl 3-morpholin-4-ylpropanoate?
2,2,3,3,4,4,5,5-octafluoropentyl 3-morpholin-4-ylpropanoate has a molecular weight of 373.24 g/mol, XLogP of 2.42, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluoropentyl 3-morpholin-4-ylpropanoate is sourced from PubChem (CID 59855627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).