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

C15H14F15NO3 — CID 58855482

IUPAC2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9,9-pentadecafluorononanoate
SMILESO=C(OCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H14F15NO3/c16-9(17,7-10(18,19)13(24,25)15(28,29)30)12(22,23)14(26,27)11(20,21)8(32)34-6-3-31-1-4-33-5-2-31/h1-7H2
InChIKeyHDVGPOKFLWWDGI-UHFFFAOYSA-N
MW541.25 g/mol
LogP4.63
Rot. Bonds10

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

2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9,9-pentadecafluorononanoate (PubChem CID 58855482) has the molecular formula C15H14F15NO3 and a molecular weight of 541.25 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9,9-pentadecafluorononanoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9,9-pentadecafluorononanoate
PubChem CID58855482
Molecular FormulaC15H14F15NO3
Molecular Weight541.25 g/mol
Exact Mass541.07
IUPAC Name2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9,9-pentadecafluorononanoate
SMILESO=C(OCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H14F15NO3/c16-9(17,7-10(18,19)13(24,25)15(28,29)30)12(22,23)14(26,27)11(20,21)8(32)34-6-3-31-1-4-33-5-2-31/h1-7H2
InChIKeyHDVGPOKFLWWDGI-UHFFFAOYSA-N
XLogP4.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.25
LogP ≤ 54.63
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 2,2,3,3,4,4,5,5,7,7,8,8,9,9,9-pentadecafluorononanoate?
The IUPAC name of 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9,9-pentadecafluorononanoate (CID 58855482) is 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9,9-pentadecafluorononanoate.
What is the SMILES notation for 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9,9-pentadecafluorononanoate?
The canonical SMILES for 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9,9-pentadecafluorononanoate 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)F.
What is the InChIKey of 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9,9-pentadecafluorononanoate?
The InChIKey is HDVGPOKFLWWDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F15NO3/c16-9(17,7-10(18,19)13(24,25)15(28,29)30)12(22,23)14(26,27)11(20,21)8(32)34-6-3-31-1-4-33-5-2-31/h1-7H2.
What are the key properties of 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9,9-pentadecafluorononanoate?
2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9,9-pentadecafluorononanoate has a molecular weight of 541.25 g/mol, XLogP of 4.63, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9,9-pentadecafluorononanoate is sourced from PubChem (CID 58855482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).