3,3,4,4,6,6,7,7,8,8,8-undecafluorooctyl 3-morpholin-4-ylpropanoate

C15H18F11NO3 — CID 58855428

IUPAC3,3,4,4,6,6,7,7,8,8,8-undecafluorooctyl 3-morpholin-4-ylpropanoate
SMILESO=C(CCN1CCOCC1)OCCC(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H18F11NO3/c16-11(17,2-6-30-10(28)1-3-27-4-7-29-8-5-27)12(18,19)9-13(20,21)14(22,23)15(24,25)26/h1-9H2
InChIKeyJIVCFEAZQRNOJP-UHFFFAOYSA-N
MW469.29 g/mol
LogP4.14
Rot. Bonds10

About 3,3,4,4,6,6,7,7,8,8,8-undecafluorooctyl 3-morpholin-4-ylpropanoate

3,3,4,4,6,6,7,7,8,8,8-undecafluorooctyl 3-morpholin-4-ylpropanoate (PubChem CID 58855428) has the molecular formula C15H18F11NO3 and a molecular weight of 469.29 g/mol. Its IUPAC name is 3,3,4,4,6,6,7,7,8,8,8-undecafluorooctyl 3-morpholin-4-ylpropanoate.

Molecular Properties

Compound Name3,3,4,4,6,6,7,7,8,8,8-undecafluorooctyl 3-morpholin-4-ylpropanoate
PubChem CID58855428
Molecular FormulaC15H18F11NO3
Molecular Weight469.29 g/mol
Exact Mass469.11
IUPAC Name3,3,4,4,6,6,7,7,8,8,8-undecafluorooctyl 3-morpholin-4-ylpropanoate
SMILESO=C(CCN1CCOCC1)OCCC(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H18F11NO3/c16-11(17,2-6-30-10(28)1-3-27-4-7-29-8-5-27)12(18,19)9-13(20,21)14(22,23)15(24,25)26/h1-9H2
InChIKeyJIVCFEAZQRNOJP-UHFFFAOYSA-N
XLogP4.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.29
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,3,4,4,6,6,7,7,8,8,8-undecafluorooctyl 3-morpholin-4-ylpropanoate with MolForge

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Related Compounds

8-Morpholin-4-yloctyl 2,2-difluoropropanoate
CID 58341551
12-Morpholin-4-yldodecyl 2,2-difluoropropanoate
CID 58341584
3,3,4,4,6,6,7,7,8,8,9,9,10,10,12,12,13,13,14,14,14-Henicosafluorotetradecyl 3-morpholin-4-ylpropanoate
CID 58855368
2-Morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluorodecanoate
CID 58855387
3,3,4,4,6,6,7,7,8,8,9,9,10,10,10-Pentadecafluorodecyl 3-morpholin-4-ylpropanoate
CID 58855407
(4,4,6,6,7,7,8,8,9,9,9-Undecafluoro-1-morpholin-4-ylnonan-2-yl) acetate
CID 58855412
1-Morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluorooctanoate
CID 58855451
2-Morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluorooctanoate
CID 58855457
(4,4,6,6,7,7,8,8,9,9,10,10,12,12,13,13,13-Heptadecafluoro-1-morpholin-4-yltridecan-2-yl) acetate
CID 58855465
2-Morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9-tetradecafluorononanoate
CID 58855472
2-Morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9,9-pentadecafluorononanoate
CID 58855482
3,3,4,4,6,6,7,7,8,8,9,9,10,10,12,12,12-Heptadecafluorododecyl 3-morpholin-4-ylpropanoate
CID 58855489

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,6,6,7,7,8,8,8-undecafluorooctyl 3-morpholin-4-ylpropanoate?
The IUPAC name of 3,3,4,4,6,6,7,7,8,8,8-undecafluorooctyl 3-morpholin-4-ylpropanoate (CID 58855428) is 3,3,4,4,6,6,7,7,8,8,8-undecafluorooctyl 3-morpholin-4-ylpropanoate.
What is the SMILES notation for 3,3,4,4,6,6,7,7,8,8,8-undecafluorooctyl 3-morpholin-4-ylpropanoate?
The canonical SMILES for 3,3,4,4,6,6,7,7,8,8,8-undecafluorooctyl 3-morpholin-4-ylpropanoate is O=C(CCN1CCOCC1)OCCC(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,6,6,7,7,8,8,8-undecafluorooctyl 3-morpholin-4-ylpropanoate?
The InChIKey is JIVCFEAZQRNOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F11NO3/c16-11(17,2-6-30-10(28)1-3-27-4-7-29-8-5-27)12(18,19)9-13(20,21)14(22,23)15(24,25)26/h1-9H2.
What are the key properties of 3,3,4,4,6,6,7,7,8,8,8-undecafluorooctyl 3-morpholin-4-ylpropanoate?
3,3,4,4,6,6,7,7,8,8,8-undecafluorooctyl 3-morpholin-4-ylpropanoate has a molecular weight of 469.29 g/mol, XLogP of 4.14, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,6,6,7,7,8,8,8-undecafluorooctyl 3-morpholin-4-ylpropanoate is sourced from PubChem (CID 58855428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).