(4,4,6,6,7,7,8,8,9,9,9-undecafluoro-1-morpholin-4-ylnonan-2-yl) acetate

C15H18F11NO3 — CID 58855412

IUPAC(4,4,6,6,7,7,8,8,9,9,9-undecafluoro-1-morpholin-4-ylnonan-2-yl) acetate
SMILESCC(=O)OC(CN1CCOCC1)CC(F)(F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H18F11NO3/c1-9(28)30-10(7-27-2-4-29-5-3-27)6-11(16,17)8-12(18,19)13(20,21)14(22,23)15(24,25)26/h10H,2-8H2,1H3
InChIKeyHWMVYEKAYRDEOW-UHFFFAOYSA-N
MW469.29 g/mol
LogP4.13
Rot. Bonds9

About (4,4,6,6,7,7,8,8,9,9,9-undecafluoro-1-morpholin-4-ylnonan-2-yl) acetate

(4,4,6,6,7,7,8,8,9,9,9-undecafluoro-1-morpholin-4-ylnonan-2-yl) acetate (PubChem CID 58855412) has the molecular formula C15H18F11NO3 and a molecular weight of 469.29 g/mol. Its IUPAC name is (4,4,6,6,7,7,8,8,9,9,9-undecafluoro-1-morpholin-4-ylnonan-2-yl) acetate.

Molecular Properties

Compound Name(4,4,6,6,7,7,8,8,9,9,9-undecafluoro-1-morpholin-4-ylnonan-2-yl) acetate
PubChem CID58855412
Molecular FormulaC15H18F11NO3
Molecular Weight469.29 g/mol
Exact Mass469.11
IUPAC Name(4,4,6,6,7,7,8,8,9,9,9-undecafluoro-1-morpholin-4-ylnonan-2-yl) acetate
SMILESCC(=O)OC(CN1CCOCC1)CC(F)(F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H18F11NO3/c1-9(28)30-10(7-27-2-4-29-5-3-27)6-11(16,17)8-12(18,19)13(20,21)14(22,23)15(24,25)26/h10H,2-8H2,1H3
InChIKeyHWMVYEKAYRDEOW-UHFFFAOYSA-N
XLogP4.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.29
LogP ≤ 54.13
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 (4,4,6,6,7,7,8,8,9,9,9-undecafluoro-1-morpholin-4-ylnonan-2-yl) acetate?
The IUPAC name of (4,4,6,6,7,7,8,8,9,9,9-undecafluoro-1-morpholin-4-ylnonan-2-yl) acetate (CID 58855412) is (4,4,6,6,7,7,8,8,9,9,9-undecafluoro-1-morpholin-4-ylnonan-2-yl) acetate.
What is the SMILES notation for (4,4,6,6,7,7,8,8,9,9,9-undecafluoro-1-morpholin-4-ylnonan-2-yl) acetate?
The canonical SMILES for (4,4,6,6,7,7,8,8,9,9,9-undecafluoro-1-morpholin-4-ylnonan-2-yl) acetate is CC(=O)OC(CN1CCOCC1)CC(F)(F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (4,4,6,6,7,7,8,8,9,9,9-undecafluoro-1-morpholin-4-ylnonan-2-yl) acetate?
The InChIKey is HWMVYEKAYRDEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F11NO3/c1-9(28)30-10(7-27-2-4-29-5-3-27)6-11(16,17)8-12(18,19)13(20,21)14(22,23)15(24,25)26/h10H,2-8H2,1H3.
What are the key properties of (4,4,6,6,7,7,8,8,9,9,9-undecafluoro-1-morpholin-4-ylnonan-2-yl) acetate?
(4,4,6,6,7,7,8,8,9,9,9-undecafluoro-1-morpholin-4-ylnonan-2-yl) acetate has a molecular weight of 469.29 g/mol, XLogP of 4.13, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4,6,6,7,7,8,8,9,9,9-undecafluoro-1-morpholin-4-ylnonan-2-yl) acetate is sourced from PubChem (CID 58855412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).