1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate

C14H16F11NO3 — CID 58855431

IUPAC1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate
SMILESCC(CN1CCOCC1)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C14H16F11NO3/c1-8(6-26-2-4-28-5-3-26)29-9(27)12(20,21)14(24,25)13(22,23)10(15,16)7-11(17,18)19/h8H,2-7H2,1H3
InChIKeyNFOPPEZSCOMUOP-UHFFFAOYSA-N
MW455.26 g/mol
LogP3.74
Rot. Bonds8

About 1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate

1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate (PubChem CID 58855431) has the molecular formula C14H16F11NO3 and a molecular weight of 455.26 g/mol. Its IUPAC name is 1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate.

Molecular Properties

Compound Name1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate
PubChem CID58855431
Molecular FormulaC14H16F11NO3
Molecular Weight455.26 g/mol
Exact Mass455.10
IUPAC Name1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate
SMILESCC(CN1CCOCC1)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C14H16F11NO3/c1-8(6-26-2-4-28-5-3-26)29-9(27)12(20,21)14(24,25)13(22,23)10(15,16)7-11(17,18)19/h8H,2-7H2,1H3
InChIKeyNFOPPEZSCOMUOP-UHFFFAOYSA-N
XLogP3.74
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.26
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate with MolForge

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Related Compounds

2-Morpholin-4-ylethyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoate
CID 58855369
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
[4,4,5,5,7,7,7-Heptafluoro-1-(2-morpholin-4-ylethoxy)heptan-2-yl] acetate
CID 58855392
(4,4,6,6,7,7,8,8,9,9,9-Undecafluoro-1-morpholin-4-ylnonan-2-yl) acetate
CID 58855412
[4,4,5,5,7,7,7-Heptafluoro-1-(2-morpholin-4-ylethoxy)heptan-2-yl] butanoate
CID 58855421
2-Morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate
CID 58855424
(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 2,2,3,3,4,4,5,5,7,7,8,8,9,9,9-pentadecafluorononanoate
CID 58855444

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate?
The IUPAC name of 1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate (CID 58855431) is 1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate.
What is the SMILES notation for 1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate?
The canonical SMILES for 1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate is CC(CN1CCOCC1)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)F.
What is the InChIKey of 1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate?
The InChIKey is NFOPPEZSCOMUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F11NO3/c1-8(6-26-2-4-28-5-3-26)29-9(27)12(20,21)14(24,25)13(22,23)10(15,16)7-11(17,18)19/h8H,2-7H2,1H3.
What are the key properties of 1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate?
1-morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate has a molecular weight of 455.26 g/mol, XLogP of 3.74, 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 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate is sourced from PubChem (CID 58855431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).