4-[morpholin-4-yl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecoxy)phosphoryl]morpholine

C18H18F19N2O4P — CID 10580709

IUPAC4-[morpholin-4-yl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecoxy)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)C(F)(F)C(F)(F)F)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C18H18F19N2O4P/c19-10(20,9-43-44(40,38-1-5-41-6-2-38)39-3-7-42-8-4-39)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)17(33,34)18(35,36)37/h1-9H2
InChIKeyDSMOGCPQPOJYNS-UHFFFAOYSA-N
MW718.29 g/mol
LogP6.42
Rot. Bonds12

About 4-[morpholin-4-yl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecoxy)phosphoryl]morpholine

4-[morpholin-4-yl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecoxy)phosphoryl]morpholine (PubChem CID 10580709) has the molecular formula C18H18F19N2O4P and a molecular weight of 718.29 g/mol. Its IUPAC name is 4-[morpholin-4-yl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecoxy)phosphoryl]morpholine.

Molecular Properties

Compound Name4-[morpholin-4-yl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecoxy)phosphoryl]morpholine
PubChem CID10580709
Molecular FormulaC18H18F19N2O4P
Molecular Weight718.29 g/mol
Exact Mass718.07
IUPAC Name4-[morpholin-4-yl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecoxy)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)C(F)(F)C(F)(F)F)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C18H18F19N2O4P/c19-10(20,9-43-44(40,38-1-5-41-6-2-38)39-3-7-42-8-4-39)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)17(33,34)18(35,36)37/h1-9H2
InChIKeyDSMOGCPQPOJYNS-UHFFFAOYSA-N
XLogP6.42
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.29
LogP ≤ 56.42
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'}

Analyze 4-[morpholin-4-yl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecoxy)phosphoryl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[morpholin-4-yl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecoxy)phosphoryl]morpholine?
The IUPAC name of 4-[morpholin-4-yl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecoxy)phosphoryl]morpholine (CID 10580709) is 4-[morpholin-4-yl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecoxy)phosphoryl]morpholine.
What is the SMILES notation for 4-[morpholin-4-yl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecoxy)phosphoryl]morpholine?
The canonical SMILES for 4-[morpholin-4-yl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecoxy)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)C(F)(F)C(F)(F)F)(N1CCOCC1)N1CCOCC1.
What is the InChIKey of 4-[morpholin-4-yl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecoxy)phosphoryl]morpholine?
The InChIKey is DSMOGCPQPOJYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F19N2O4P/c19-10(20,9-43-44(40,38-1-5-41-6-2-38)39-3-7-42-8-4-39)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)17(33,34)18(35,36)37/h1-9H2.
What are the key properties of 4-[morpholin-4-yl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecoxy)phosphoryl]morpholine?
4-[morpholin-4-yl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecoxy)phosphoryl]morpholine has a molecular weight of 718.29 g/mol, XLogP of 6.42, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[morpholin-4-yl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecoxy)phosphoryl]morpholine is sourced from PubChem (CID 10580709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).