4-[morpholin-4-yl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)phosphoryl]morpholine

C16H18F15N2O4P — CID 10531889

IUPAC4-[morpholin-4-yl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)phosphoryl]morpholine
SMILESO=P(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C16H18F15N2O4P/c17-10(18,9-37-38(34,32-1-5-35-6-2-32)33-3-7-36-8-4-33)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h1-9H2
InChIKeyILTDMPHESDTEFO-UHFFFAOYSA-N
MW618.27 g/mol
LogP5.15
Rot. Bonds10

About 4-[morpholin-4-yl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)phosphoryl]morpholine

4-[morpholin-4-yl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)phosphoryl]morpholine (PubChem CID 10531889) has the molecular formula C16H18F15N2O4P and a molecular weight of 618.27 g/mol. Its IUPAC name is 4-[morpholin-4-yl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)phosphoryl]morpholine.

Molecular Properties

Compound Name4-[morpholin-4-yl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)phosphoryl]morpholine
PubChem CID10531889
Molecular FormulaC16H18F15N2O4P
Molecular Weight618.27 g/mol
Exact Mass618.08
IUPAC Name4-[morpholin-4-yl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)phosphoryl]morpholine
SMILESO=P(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C16H18F15N2O4P/c17-10(18,9-37-38(34,32-1-5-35-6-2-32)33-3-7-36-8-4-33)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h1-9H2
InChIKeyILTDMPHESDTEFO-UHFFFAOYSA-N
XLogP5.15
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.27
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[morpholin-4-yl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)phosphoryl]morpholine?
The IUPAC name of 4-[morpholin-4-yl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)phosphoryl]morpholine (CID 10531889) is 4-[morpholin-4-yl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)phosphoryl]morpholine.
What is the SMILES notation for 4-[morpholin-4-yl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)phosphoryl]morpholine?
The canonical SMILES for 4-[morpholin-4-yl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)phosphoryl]morpholine is O=P(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(N1CCOCC1)N1CCOCC1.
What is the InChIKey of 4-[morpholin-4-yl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)phosphoryl]morpholine?
The InChIKey is ILTDMPHESDTEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F15N2O4P/c17-10(18,9-37-38(34,32-1-5-35-6-2-32)33-3-7-36-8-4-33)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h1-9H2.
What are the key properties of 4-[morpholin-4-yl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)phosphoryl]morpholine?
4-[morpholin-4-yl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)phosphoryl]morpholine has a molecular weight of 618.27 g/mol, XLogP of 5.15, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[morpholin-4-yl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)phosphoryl]morpholine is sourced from PubChem (CID 10531889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).