2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoate

C12H12F11NO3 — CID 58855369

IUPAC2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoate
SMILESO=C(OCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H12F11NO3/c13-8(14,7(25)27-6-3-24-1-4-26-5-2-24)9(15,16)10(17,18)11(19,20)12(21,22)23/h1-6H2
InChIKeyHFNKFVBWHREOKZ-UHFFFAOYSA-N
MW427.21 g/mol
LogP2.97
Rot. Bonds7

About 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoate

2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoate (PubChem CID 58855369) has the molecular formula C12H12F11NO3 and a molecular weight of 427.21 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoate
PubChem CID58855369
Molecular FormulaC12H12F11NO3
Molecular Weight427.21 g/mol
Exact Mass427.06
IUPAC Name2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoate
SMILESO=C(OCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H12F11NO3/c13-8(14,7(25)27-6-3-24-1-4-26-5-2-24)9(15,16)10(17,18)11(19,20)12(21,22)23/h1-6H2
InChIKeyHFNKFVBWHREOKZ-UHFFFAOYSA-N
XLogP2.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.21
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoate with MolForge

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Related Compounds

2-Morpholin-4-ylethyl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate
CID 58855375
1-Morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5-octafluoropentanoate
CID 58855384
1-Morpholin-4-ylpropan-2-yl 4,4,5,5,6,6-hexafluorohexanoate
CID 58855385
2-Morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluorodecanoate
CID 58855387
2-Morpholin-4-ylethyl 2,2,3,3,4,4,5,5-octafluoropentanoate
CID 58855414
2-Morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate
CID 58855424
1-Morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate
CID 58855431
(4,4,5,5,6,6,7,7,7-Nonafluoro-1-morpholin-4-ylheptan-2-yl) 4,4,5,5,6,6,6-heptafluorohexanoate
CID 58855438
2-Morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7-decafluoroheptanoate
CID 58855439
1-Morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
CID 58855442
1-Morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluorooctanoate
CID 58855451
2-Morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluorooctanoate
CID 58855457

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoate?
The IUPAC name of 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoate (CID 58855369) is 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoate.
What is the SMILES notation for 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoate?
The canonical SMILES for 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoate is O=C(OCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoate?
The InChIKey is HFNKFVBWHREOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F11NO3/c13-8(14,7(25)27-6-3-24-1-4-26-5-2-24)9(15,16)10(17,18)11(19,20)12(21,22)23/h1-6H2.
What are the key properties of 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoate?
2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoate has a molecular weight of 427.21 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoate is sourced from PubChem (CID 58855369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).