4,4,5,5,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-(2-morpholin-4-ylethoxy)undecan-2-ol

C17H20F15NO3 — CID 58855420

IUPAC4,4,5,5,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-(2-morpholin-4-ylethoxy)undecan-2-ol
SMILESOC(COCCN1CCOCC1)CC(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H20F15NO3/c18-11(19,7-10(34)8-36-6-3-33-1-4-35-5-2-33)12(20,21)9-13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h10,34H,1-9H2
InChIKeyODGIMADKXLLGQI-UHFFFAOYSA-N
MW571.32 g/mol
LogP4.85
Rot. Bonds13

About 4,4,5,5,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-(2-morpholin-4-ylethoxy)undecan-2-ol

4,4,5,5,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-(2-morpholin-4-ylethoxy)undecan-2-ol (PubChem CID 58855420) has the molecular formula C17H20F15NO3 and a molecular weight of 571.32 g/mol. Its IUPAC name is 4,4,5,5,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-(2-morpholin-4-ylethoxy)undecan-2-ol.

Molecular Properties

Compound Name4,4,5,5,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-(2-morpholin-4-ylethoxy)undecan-2-ol
PubChem CID58855420
Molecular FormulaC17H20F15NO3
Molecular Weight571.32 g/mol
Exact Mass571.12
IUPAC Name4,4,5,5,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-(2-morpholin-4-ylethoxy)undecan-2-ol
SMILESOC(COCCN1CCOCC1)CC(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H20F15NO3/c18-11(19,7-10(34)8-36-6-3-33-1-4-35-5-2-33)12(20,21)9-13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h10,34H,1-9H2
InChIKeyODGIMADKXLLGQI-UHFFFAOYSA-N
XLogP4.85
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.32
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-(2-morpholin-4-ylethoxy)undecan-2-ol?
The IUPAC name of 4,4,5,5,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-(2-morpholin-4-ylethoxy)undecan-2-ol (CID 58855420) is 4,4,5,5,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-(2-morpholin-4-ylethoxy)undecan-2-ol.
What is the SMILES notation for 4,4,5,5,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-(2-morpholin-4-ylethoxy)undecan-2-ol?
The canonical SMILES for 4,4,5,5,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-(2-morpholin-4-ylethoxy)undecan-2-ol is OC(COCCN1CCOCC1)CC(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-(2-morpholin-4-ylethoxy)undecan-2-ol?
The InChIKey is ODGIMADKXLLGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F15NO3/c18-11(19,7-10(34)8-36-6-3-33-1-4-35-5-2-33)12(20,21)9-13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h10,34H,1-9H2.
What are the key properties of 4,4,5,5,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-(2-morpholin-4-ylethoxy)undecan-2-ol?
4,4,5,5,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-(2-morpholin-4-ylethoxy)undecan-2-ol has a molecular weight of 571.32 g/mol, XLogP of 4.85, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-(2-morpholin-4-ylethoxy)undecan-2-ol is sourced from PubChem (CID 58855420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).