1-morpholin-4-ylpropan-2-yl 4,4,5,5,6,6-hexafluorohexanoate

C13H19F6NO3 — CID 58855385

IUPAC1-morpholin-4-ylpropan-2-yl 4,4,5,5,6,6-hexafluorohexanoate
SMILESCC(CN1CCOCC1)OC(=O)CCC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C13H19F6NO3/c1-9(8-20-4-6-22-7-5-20)23-10(21)2-3-12(16,17)13(18,19)11(14)15/h9,11H,2-8H2,1H3
InChIKeyWCSBFLTUURYJRE-UHFFFAOYSA-N
MW351.29 g/mol
LogP2.57
Rot. Bonds8

About 1-morpholin-4-ylpropan-2-yl 4,4,5,5,6,6-hexafluorohexanoate

1-morpholin-4-ylpropan-2-yl 4,4,5,5,6,6-hexafluorohexanoate (PubChem CID 58855385) has the molecular formula C13H19F6NO3 and a molecular weight of 351.29 g/mol. Its IUPAC name is 1-morpholin-4-ylpropan-2-yl 4,4,5,5,6,6-hexafluorohexanoate.

Molecular Properties

Compound Name1-morpholin-4-ylpropan-2-yl 4,4,5,5,6,6-hexafluorohexanoate
PubChem CID58855385
Molecular FormulaC13H19F6NO3
Molecular Weight351.29 g/mol
Exact Mass351.13
IUPAC Name1-morpholin-4-ylpropan-2-yl 4,4,5,5,6,6-hexafluorohexanoate
SMILESCC(CN1CCOCC1)OC(=O)CCC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C13H19F6NO3/c1-9(8-20-4-6-22-7-5-20)23-10(21)2-3-12(16,17)13(18,19)11(14)15/h9,11H,2-8H2,1H3
InChIKeyWCSBFLTUURYJRE-UHFFFAOYSA-N
XLogP2.57
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 52.57
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 1-morpholin-4-ylpropan-2-yl 4,4,5,5,6,6-hexafluorohexanoate?
The IUPAC name of 1-morpholin-4-ylpropan-2-yl 4,4,5,5,6,6-hexafluorohexanoate (CID 58855385) is 1-morpholin-4-ylpropan-2-yl 4,4,5,5,6,6-hexafluorohexanoate.
What is the SMILES notation for 1-morpholin-4-ylpropan-2-yl 4,4,5,5,6,6-hexafluorohexanoate?
The canonical SMILES for 1-morpholin-4-ylpropan-2-yl 4,4,5,5,6,6-hexafluorohexanoate is CC(CN1CCOCC1)OC(=O)CCC(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1-morpholin-4-ylpropan-2-yl 4,4,5,5,6,6-hexafluorohexanoate?
The InChIKey is WCSBFLTUURYJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F6NO3/c1-9(8-20-4-6-22-7-5-20)23-10(21)2-3-12(16,17)13(18,19)11(14)15/h9,11H,2-8H2,1H3.
What are the key properties of 1-morpholin-4-ylpropan-2-yl 4,4,5,5,6,6-hexafluorohexanoate?
1-morpholin-4-ylpropan-2-yl 4,4,5,5,6,6-hexafluorohexanoate has a molecular weight of 351.29 g/mol, XLogP of 2.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylpropan-2-yl 4,4,5,5,6,6-hexafluorohexanoate is sourced from PubChem (CID 58855385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).