4-[6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-henicosafluoropentadecoxy(morpholin-4-yl)phosphoryl]morpholine

C23H26F21N2O4P — CID 101354483

IUPAC4-[6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-henicosafluoropentadecoxy(morpholin-4-yl)phosphoryl]morpholine
SMILESO=P(OCCCCCC(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)C(F)(F)F)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C23H26F21N2O4P/c24-14(25,4-2-1-3-9-50-51(47,45-5-10-48-11-6-45)46-7-12-49-13-8-46)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)20(36,37)21(38,39)22(40,41)23(42,43)44/h1-13H2
InChIKeyPYMHHQLZFRHUNL-UHFFFAOYSA-N
MW824.40 g/mol
LogP8.62
Rot. Bonds17

About 4-[6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-henicosafluoropentadecoxy(morpholin-4-yl)phosphoryl]morpholine

4-[6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-henicosafluoropentadecoxy(morpholin-4-yl)phosphoryl]morpholine (PubChem CID 101354483) has the molecular formula C23H26F21N2O4P and a molecular weight of 824.40 g/mol. Its IUPAC name is 4-[6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-henicosafluoropentadecoxy(morpholin-4-yl)phosphoryl]morpholine.

Molecular Properties

Compound Name4-[6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-henicosafluoropentadecoxy(morpholin-4-yl)phosphoryl]morpholine
PubChem CID101354483
Molecular FormulaC23H26F21N2O4P
Molecular Weight824.40 g/mol
Exact Mass824.13
IUPAC Name4-[6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-henicosafluoropentadecoxy(morpholin-4-yl)phosphoryl]morpholine
SMILESO=P(OCCCCCC(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)C(F)(F)F)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C23H26F21N2O4P/c24-14(25,4-2-1-3-9-50-51(47,45-5-10-48-11-6-45)46-7-12-49-13-8-46)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)20(36,37)21(38,39)22(40,41)23(42,43)44/h1-13H2
InChIKeyPYMHHQLZFRHUNL-UHFFFAOYSA-N
XLogP8.62
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.40
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-henicosafluoropentadecoxy(morpholin-4-yl)phosphoryl]morpholine?
The IUPAC name of 4-[6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-henicosafluoropentadecoxy(morpholin-4-yl)phosphoryl]morpholine (CID 101354483) is 4-[6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-henicosafluoropentadecoxy(morpholin-4-yl)phosphoryl]morpholine.
What is the SMILES notation for 4-[6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-henicosafluoropentadecoxy(morpholin-4-yl)phosphoryl]morpholine?
The canonical SMILES for 4-[6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-henicosafluoropentadecoxy(morpholin-4-yl)phosphoryl]morpholine is O=P(OCCCCCC(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)C(F)(F)F)(N1CCOCC1)N1CCOCC1.
What is the InChIKey of 4-[6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-henicosafluoropentadecoxy(morpholin-4-yl)phosphoryl]morpholine?
The InChIKey is PYMHHQLZFRHUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F21N2O4P/c24-14(25,4-2-1-3-9-50-51(47,45-5-10-48-11-6-45)46-7-12-49-13-8-46)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)20(36,37)21(38,39)22(40,41)23(42,43)44/h1-13H2.
What are the key properties of 4-[6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-henicosafluoropentadecoxy(morpholin-4-yl)phosphoryl]morpholine?
4-[6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-henicosafluoropentadecoxy(morpholin-4-yl)phosphoryl]morpholine has a molecular weight of 824.40 g/mol, XLogP of 8.62, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-henicosafluoropentadecoxy(morpholin-4-yl)phosphoryl]morpholine is sourced from PubChem (CID 101354483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).