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

C24H12F38NO4P — CID 10653818

IUPAC4-[bis(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)(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
InChIInChI=1S/C24H12F38NO4P/c25-7(26,9(29,30)11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)21(53,54)23(57,58)59)5-66-68(64,63-1-3-65-4-2-63)67-6-8(27,28)10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(51,52)22(55,56)24(60,61)62/h1-6H2
InChIKeyLITVRNGBWJVXJA-UHFFFAOYSA-N
MW1131.26 g/mol
LogP12.75
Rot. Bonds21

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

4-[bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecoxy)phosphoryl]morpholine (PubChem CID 10653818) has the molecular formula C24H12F38NO4P and a molecular weight of 1131.26 g/mol. Its IUPAC name is 4-[bis(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-[bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecoxy)phosphoryl]morpholine
PubChem CID10653818
Molecular FormulaC24H12F38NO4P
Molecular Weight1131.26 g/mol
Exact Mass1130.99
IUPAC Name4-[bis(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)(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
InChIInChI=1S/C24H12F38NO4P/c25-7(26,9(29,30)11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)21(53,54)23(57,58)59)5-66-68(64,63-1-3-65-4-2-63)67-6-8(27,28)10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(51,52)22(55,56)24(60,61)62/h1-6H2
InChIKeyLITVRNGBWJVXJA-UHFFFAOYSA-N
XLogP12.75
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001131.26
LogP ≤ 512.75
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(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-[bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecoxy)phosphoryl]morpholine (CID 10653818) is 4-[bis(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-[bis(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-[bis(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)(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.
What is the InChIKey of 4-[bis(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 LITVRNGBWJVXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12F38NO4P/c25-7(26,9(29,30)11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)21(53,54)23(57,58)59)5-66-68(64,63-1-3-65-4-2-63)67-6-8(27,28)10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(51,52)22(55,56)24(60,61)62/h1-6H2.
What are the key properties of 4-[bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecoxy)phosphoryl]morpholine?
4-[bis(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 1131.26 g/mol, XLogP of 12.75, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(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 10653818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).