4-[morpholin-4-yl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)phosphoryl]morpholine

C14H20F9N2O4P — CID 10576745

IUPAC4-[morpholin-4-yl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)phosphoryl]morpholine
SMILESO=P(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C14H20F9N2O4P/c15-11(16,12(17,18)13(19,20)14(21,22)23)1-6-29-30(26,24-2-7-27-8-3-24)25-4-9-28-10-5-25/h1-10H2
InChIKeyPGZKSPOXCXRKGC-UHFFFAOYSA-N
MW482.28 g/mol
LogP3.63
Rot. Bonds8

About 4-[morpholin-4-yl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)phosphoryl]morpholine

4-[morpholin-4-yl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)phosphoryl]morpholine (PubChem CID 10576745) has the molecular formula C14H20F9N2O4P and a molecular weight of 482.28 g/mol. Its IUPAC name is 4-[morpholin-4-yl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)phosphoryl]morpholine.

Molecular Properties

Compound Name4-[morpholin-4-yl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)phosphoryl]morpholine
PubChem CID10576745
Molecular FormulaC14H20F9N2O4P
Molecular Weight482.28 g/mol
Exact Mass482.10
IUPAC Name4-[morpholin-4-yl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)phosphoryl]morpholine
SMILESO=P(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C14H20F9N2O4P/c15-11(16,12(17,18)13(19,20)14(21,22)23)1-6-29-30(26,24-2-7-27-8-3-24)25-4-9-28-10-5-25/h1-10H2
InChIKeyPGZKSPOXCXRKGC-UHFFFAOYSA-N
XLogP3.63
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.28
LogP ≤ 53.63
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(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)phosphoryl]morpholine?
The IUPAC name of 4-[morpholin-4-yl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)phosphoryl]morpholine (CID 10576745) is 4-[morpholin-4-yl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)phosphoryl]morpholine.
What is the SMILES notation for 4-[morpholin-4-yl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)phosphoryl]morpholine?
The canonical SMILES for 4-[morpholin-4-yl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)phosphoryl]morpholine is O=P(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(N1CCOCC1)N1CCOCC1.
What is the InChIKey of 4-[morpholin-4-yl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)phosphoryl]morpholine?
The InChIKey is PGZKSPOXCXRKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F9N2O4P/c15-11(16,12(17,18)13(19,20)14(21,22)23)1-6-29-30(26,24-2-7-27-8-3-24)25-4-9-28-10-5-25/h1-10H2.
What are the key properties of 4-[morpholin-4-yl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)phosphoryl]morpholine?
4-[morpholin-4-yl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)phosphoryl]morpholine has a molecular weight of 482.28 g/mol, XLogP of 3.63, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[morpholin-4-yl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)phosphoryl]morpholine is sourced from PubChem (CID 10576745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).