4-[bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)phosphoryl]morpholine

C24H16F34NO4P — CID 10748628

IUPAC4-[bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)phosphoryl]morpholine
SMILESO=P(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCCC(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
InChIInChI=1S/C24H16F34NO4P/c25-9(26,11(29,30)13(33,34)15(37,38)17(41,42)19(45,46)21(49,50)23(53,54)55)1-5-62-64(60,59-3-7-61-8-4-59)63-6-2-10(27,28)12(31,32)14(35,36)16(39,40)18(43,44)20(47,48)22(51,52)24(56,57)58/h1-8H2
InChIKeyZIWQKJZQFUQVRF-UHFFFAOYSA-N
MW1059.30 g/mol
LogP12.26
Rot. Bonds21

About 4-[bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)phosphoryl]morpholine

4-[bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)phosphoryl]morpholine (PubChem CID 10748628) has the molecular formula C24H16F34NO4P and a molecular weight of 1059.30 g/mol. Its IUPAC name is 4-[bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)phosphoryl]morpholine.

Molecular Properties

Compound Name4-[bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)phosphoryl]morpholine
PubChem CID10748628
Molecular FormulaC24H16F34NO4P
Molecular Weight1059.30 g/mol
Exact Mass1059.03
IUPAC Name4-[bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)phosphoryl]morpholine
SMILESO=P(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCCC(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
InChIInChI=1S/C24H16F34NO4P/c25-9(26,11(29,30)13(33,34)15(37,38)17(41,42)19(45,46)21(49,50)23(53,54)55)1-5-62-64(60,59-3-7-61-8-4-59)63-6-2-10(27,28)12(31,32)14(35,36)16(39,40)18(43,44)20(47,48)22(51,52)24(56,57)58/h1-8H2
InChIKeyZIWQKJZQFUQVRF-UHFFFAOYSA-N
XLogP12.26
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001059.30
LogP ≤ 512.26
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-[bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)phosphoryl]morpholine?
The IUPAC name of 4-[bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)phosphoryl]morpholine (CID 10748628) is 4-[bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)phosphoryl]morpholine.
What is the SMILES notation for 4-[bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)phosphoryl]morpholine?
The canonical SMILES for 4-[bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)phosphoryl]morpholine is O=P(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCCC(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.
What is the InChIKey of 4-[bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)phosphoryl]morpholine?
The InChIKey is ZIWQKJZQFUQVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F34NO4P/c25-9(26,11(29,30)13(33,34)15(37,38)17(41,42)19(45,46)21(49,50)23(53,54)55)1-5-62-64(60,59-3-7-61-8-4-59)63-6-2-10(27,28)12(31,32)14(35,36)16(39,40)18(43,44)20(47,48)22(51,52)24(56,57)58/h1-8H2.
What are the key properties of 4-[bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)phosphoryl]morpholine?
4-[bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)phosphoryl]morpholine has a molecular weight of 1059.30 g/mol, XLogP of 12.26, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)phosphoryl]morpholine is sourced from PubChem (CID 10748628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).