4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)morpholine

C11H8F15NO — CID 54540906

IUPAC4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)morpholine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)N1CCOCC1
InChIInChI=1S/C11H8F15NO/c12-5(13,6(14,15)8(18,19)10(22,23)24)7(16,17)9(20,21)11(25,26)27-1-3-28-4-2-27/h1-4H2
InChIKeyZDDFDODUAQOLFN-UHFFFAOYSA-N
MW455.16 g/mol
LogP4.65
Rot. Bonds6

About 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)morpholine

4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)morpholine (PubChem CID 54540906) has the molecular formula C11H8F15NO and a molecular weight of 455.16 g/mol. Its IUPAC name is 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)morpholine.

Molecular Properties

Compound Name4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)morpholine
PubChem CID54540906
Molecular FormulaC11H8F15NO
Molecular Weight455.16 g/mol
Exact Mass455.04
IUPAC Name4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)morpholine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)N1CCOCC1
InChIInChI=1S/C11H8F15NO/c12-5(13,6(14,15)8(18,19)10(22,23)24)7(16,17)9(20,21)11(25,26)27-1-3-28-4-2-27/h1-4H2
InChIKeyZDDFDODUAQOLFN-UHFFFAOYSA-N
XLogP4.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.16
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2,3,3-Tetrafluoropropyl)morpholine
CID 12554036
1-[1,1,2-Trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]piperidine
CID 15414996
4-(2,2,3,3,4,4,5,5-Octafluoropentanethioyl)morpholine
CID 71777785
1-(Morpholin-4-yl)-4,4,5,5,6,6,7,7,7-nonafluoro-heptane-2-thiol
CID 129751549
4,4-Bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)morpholin-4-ium
CID 138979986
4-(1,1,2,3,3,3-Hexafluoropropyl)morpholine
CID 13499029
4-(2,2,3,4,4,4-Hexafluorobutyl)-2-(1,1,2,3,3,3-hexafluoropropyl)morpholine
CID 17997707
4-(2,2,3,4,4,4-Hexafluorobutyl)morpholine
CID 17997711
1-(1,1,2,2-Tetrafluoro-2-methoxyethyl)piperidine
CID 18725554
2,2,3,3,5,5,6,6-Octafluoro-4-pentylmorpholine
CID 19783531
2,2,3,3,5,5,6,6-Octafluoro-4-hexylmorpholine
CID 19783537
2,2,3,3,5,5,6,6-Octafluoro-4-heptylmorpholine
CID 19783539

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)morpholine?
The IUPAC name of 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)morpholine (CID 54540906) is 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)morpholine.
What is the SMILES notation for 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)morpholine?
The canonical SMILES for 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)morpholine is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)N1CCOCC1.
What is the InChIKey of 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)morpholine?
The InChIKey is ZDDFDODUAQOLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F15NO/c12-5(13,6(14,15)8(18,19)10(22,23)24)7(16,17)9(20,21)11(25,26)27-1-3-28-4-2-27/h1-4H2.
What are the key properties of 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)morpholine?
4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)morpholine has a molecular weight of 455.16 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)morpholine is sourced from PubChem (CID 54540906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).