2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7-decafluoroheptanoate

C13H15F10NO3 — CID 58855439

IUPAC2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7-decafluoroheptanoate
SMILESO=C(OCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)F
InChIInChI=1S/C13H15F10NO3/c14-8(15)7-10(16,17)12(20,21)13(22,23)11(18,19)9(25)27-6-3-24-1-4-26-5-2-24/h8H,1-7H2
InChIKeyKPSDFIHVVRLOQW-UHFFFAOYSA-N
MW423.25 g/mol
LogP3.06
Rot. Bonds9

About 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7-decafluoroheptanoate

2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7-decafluoroheptanoate (PubChem CID 58855439) has the molecular formula C13H15F10NO3 and a molecular weight of 423.25 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7-decafluoroheptanoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7-decafluoroheptanoate
PubChem CID58855439
Molecular FormulaC13H15F10NO3
Molecular Weight423.25 g/mol
Exact Mass423.09
IUPAC Name2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7-decafluoroheptanoate
SMILESO=C(OCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)F
InChIInChI=1S/C13H15F10NO3/c14-8(15)7-10(16,17)12(20,21)13(22,23)11(18,19)9(25)27-6-3-24-1-4-26-5-2-24/h8H,1-7H2
InChIKeyKPSDFIHVVRLOQW-UHFFFAOYSA-N
XLogP3.06
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.25
LogP ≤ 53.06
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 2,2,3,3,4,4,5,5,7,7-decafluoroheptanoate 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
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 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
1-Morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,7,7,8,8,9,9,9-pentadecafluorononanoate
CID 58855444
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
2-Morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,9,9-tetradecafluorononanoate
CID 58855472

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7-decafluoroheptanoate?
The IUPAC name of 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7-decafluoroheptanoate (CID 58855439) is 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7-decafluoroheptanoate.
What is the SMILES notation for 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7-decafluoroheptanoate?
The canonical SMILES for 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7-decafluoroheptanoate is O=C(OCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)F.
What is the InChIKey of 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7-decafluoroheptanoate?
The InChIKey is KPSDFIHVVRLOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F10NO3/c14-8(15)7-10(16,17)12(20,21)13(22,23)11(18,19)9(25)27-6-3-24-1-4-26-5-2-24/h8H,1-7H2.
What are the key properties of 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7-decafluoroheptanoate?
2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7-decafluoroheptanoate has a molecular weight of 423.25 g/mol, XLogP of 3.06, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7-decafluoroheptanoate is sourced from PubChem (CID 58855439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).