2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluorooctanoate

C14H14F13NO3 — CID 58855457

IUPAC2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluorooctanoate
SMILESO=C(OCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)(F)F
InChIInChI=1S/C14H14F13NO3/c15-9(16,7-10(17,18)14(25,26)27)12(21,22)13(23,24)11(19,20)8(29)31-6-3-28-1-4-30-5-2-28/h1-7H2
InChIKeyPFZMOLRFRSHPLA-UHFFFAOYSA-N
MW491.24 g/mol
LogP3.99
Rot. Bonds9

About 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluorooctanoate

2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluorooctanoate (PubChem CID 58855457) has the molecular formula C14H14F13NO3 and a molecular weight of 491.24 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluorooctanoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluorooctanoate
PubChem CID58855457
Molecular FormulaC14H14F13NO3
Molecular Weight491.24 g/mol
Exact Mass491.08
IUPAC Name2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluorooctanoate
SMILESO=C(OCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)(F)F
InChIInChI=1S/C14H14F13NO3/c15-9(16,7-10(17,18)14(25,26)27)12(21,22)13(23,24)11(19,20)8(29)31-6-3-28-1-4-30-5-2-28/h1-7H2
InChIKeyPFZMOLRFRSHPLA-UHFFFAOYSA-N
XLogP3.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.24
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 15648755
CID 15648755
CID 58855368
CID 58855368
CID 58855369
CID 58855369
CID 58855375
CID 58855375
CID 58855385
CID 58855385
CID 58855387
CID 58855387
CID 58855407
CID 58855407
CID 58855414
CID 58855414
CID 58855424
CID 58855424
CID 58855428
CID 58855428
CID 58855431
CID 58855431
CID 58855439
CID 58855439

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluorooctanoate?
The IUPAC name of 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluorooctanoate (CID 58855457) is 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluorooctanoate.
What is the SMILES notation for 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluorooctanoate?
The canonical SMILES for 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluorooctanoate is O=C(OCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)(F)F.
What is the InChIKey of 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluorooctanoate?
The InChIKey is PFZMOLRFRSHPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F13NO3/c15-9(16,7-10(17,18)14(25,26)27)12(21,22)13(23,24)11(19,20)8(29)31-6-3-28-1-4-30-5-2-28/h1-7H2.
What are the key properties of 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluorooctanoate?
2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluorooctanoate has a molecular weight of 491.24 g/mol, XLogP of 3.99, 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 2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluorooctanoate is sourced from PubChem (CID 58855457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).