2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9-tetradecafluorononanoate

C15H15F14NO3 — CID 58855472

IUPAC2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9-tetradecafluorononanoate
SMILESO=C(OCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C15H15F14NO3/c16-8(17)12(22,23)10(18,19)7-11(20,21)14(26,27)15(28,29)13(24,25)9(31)33-6-3-30-1-4-32-5-2-30/h8H,1-7H2
InChIKeyYPRQSNGOFFOSNG-UHFFFAOYSA-N
MW523.26 g/mol
LogP4.33
Rot. Bonds11

About 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9-tetradecafluorononanoate

2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9-tetradecafluorononanoate (PubChem CID 58855472) has the molecular formula C15H15F14NO3 and a molecular weight of 523.26 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9-tetradecafluorononanoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9-tetradecafluorononanoate
PubChem CID58855472
Molecular FormulaC15H15F14NO3
Molecular Weight523.26 g/mol
Exact Mass523.08
IUPAC Name2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9-tetradecafluorononanoate
SMILESO=C(OCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C15H15F14NO3/c16-8(17)12(22,23)10(18,19)7-11(20,21)14(26,27)15(28,29)13(24,25)9(31)33-6-3-30-1-4-32-5-2-30/h8H,1-7H2
InChIKeyYPRQSNGOFFOSNG-UHFFFAOYSA-N
XLogP4.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.26
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9-tetradecafluorononanoate?
The IUPAC name of 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9-tetradecafluorononanoate (CID 58855472) is 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9-tetradecafluorononanoate.
What is the SMILES notation for 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9-tetradecafluorononanoate?
The canonical SMILES for 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9-tetradecafluorononanoate is O=C(OCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9-tetradecafluorononanoate?
The InChIKey is YPRQSNGOFFOSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F14NO3/c16-8(17)12(22,23)10(18,19)7-11(20,21)14(26,27)15(28,29)13(24,25)9(31)33-6-3-30-1-4-32-5-2-30/h8H,1-7H2.
What are the key properties of 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9-tetradecafluorononanoate?
2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9-tetradecafluorononanoate has a molecular weight of 523.26 g/mol, XLogP of 4.33, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9-tetradecafluorononanoate is sourced from PubChem (CID 58855472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).