1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate

C11H14F7NO3 — CID 58855477

IUPAC1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate
SMILESCC(CN1CCOCC1)OC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H14F7NO3/c1-7(6-19-2-4-21-5-3-19)22-8(20)9(12,13)10(14,15)11(16,17)18/h7H,2-6H2,1H3
InChIKeyLHFHNZXYBSIIGA-UHFFFAOYSA-N
MW341.22 g/mol
LogP2.08
Rot. Bonds5

About 1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate

1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate (PubChem CID 58855477) has the molecular formula C11H14F7NO3 and a molecular weight of 341.22 g/mol. Its IUPAC name is 1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate.

Molecular Properties

Compound Name1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate
PubChem CID58855477
Molecular FormulaC11H14F7NO3
Molecular Weight341.22 g/mol
Exact Mass341.09
IUPAC Name1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate
SMILESCC(CN1CCOCC1)OC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H14F7NO3/c1-7(6-19-2-4-21-5-3-19)22-8(20)9(12,13)10(14,15)11(16,17)18/h7H,2-6H2,1H3
InChIKeyLHFHNZXYBSIIGA-UHFFFAOYSA-N
XLogP2.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 52.08
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 2,2,3,3,4,4,4-heptafluorobutanoate?
The IUPAC name of 1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate (CID 58855477) is 1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate.
What is the SMILES notation for 1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate?
The canonical SMILES for 1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate is CC(CN1CCOCC1)OC(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate?
The InChIKey is LHFHNZXYBSIIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F7NO3/c1-7(6-19-2-4-21-5-3-19)22-8(20)9(12,13)10(14,15)11(16,17)18/h7H,2-6H2,1H3.
What are the key properties of 1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate?
1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate has a molecular weight of 341.22 g/mol, XLogP of 2.08, 5 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 2,2,3,3,4,4,4-heptafluorobutanoate is sourced from PubChem (CID 58855477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).