2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxane;2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxolane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxolane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxolane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxolane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxolane

C195H320F70O20 — CID 159323383

IUPAC2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxane;2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxolane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxolane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxolane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxolane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxolane
SMILESFC(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCCCCCOC1CCCCO1.FC(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCCCCCOC1CCCO1.FC(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCCCCOC1CCCCO1.FC(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCCCCOC1CCCO1.FC(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCCCOC1CCCCO1.FC(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCCCOC1CCCO1.FC(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCCOC1CCCCO1.FC(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCCOC1CCCO1.FC(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCOC1CCCCO1.FC(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCOC1CCCO1
InChIInChI=1S/C22H37F7O2.2C21H35F7O2.2C20H33F7O2.2C19H31F7O2.2C18H29F7O2.C17H27F7O2/c23-20(24,21(25,26)22(27,28)29)16-12-9-7-5-3-1-2-4-6-8-10-13-17-30-19-15-11-14-18-31-19;22-19(23,20(24,25)21(26,27)28)15-11-8-6-4-2-1-3-5-7-9-12-16-29-18-14-10-13-17-30-18;22-19(23,20(24,25)21(26,27)28)15-11-9-7-5-3-1-2-4-6-8-10-12-16-29-18-14-13-17-30-18;21-18(22,19(23,24)20(25,26)27)14-10-7-5-3-1-2-4-6-8-11-15-28-17-13-9-12-16-29-17;21-18(22,19(23,24)20(25,26)27)14-10-8-6-4-2-1-3-5-7-9-11-15-28-17-13-12-16-29-17;20-17(21,18(22,23)19(24,25)26)13-9-6-4-2-1-3-5-7-10-14-27-16-12-8-11-15-28-16;20-17(21,18(22,23)19(24,25)26)13-9-7-5-3-1-2-4-6-8-10-14-27-16-12-11-15-28-16;19-16(20,17(21,22)18(23,24)25)12-8-5-3-1-2-4-6-9-13-26-15-11-7-10-14-27-15;19-16(20,17(21,22)18(23,24)25)12-8-6-4-2-1-3-5-7-9-13-26-15-11-10-14-27-15;18-15(19,16(20,21)17(22,23)24)11-7-5-3-1-2-4-6-8-12-25-14-10-9-13-26-14/h19H,1-18H2;2*18H,1-17H2;2*17H,1-16H2;2*16H,1-15H2;2*15H,1-14H2;14H,1-13H2
InChIKeyLEAYMUHZLNZSHO-UHFFFAOYSA-N
MW4314.55 g/mol
LogP74.59
Rot. Bonds150

About 2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxane;2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxolane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxolane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxolane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxolane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxolane

2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxane;2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxolane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxolane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxolane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxolane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxolane (PubChem CID 159323383) has the molecular formula C195H320F70O20 and a molecular weight of 4314.55 g/mol. Its IUPAC name is 2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxane;2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxolane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxolane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxolane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxolane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxolane.

Molecular Properties

Compound Name2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxane;2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxolane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxolane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxolane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxolane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxolane
PubChem CID159323383
Molecular FormulaC195H320F70O20
Molecular Weight4314.55 g/mol
Exact Mass4312.29
IUPAC Name2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxane;2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxolane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxolane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxolane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxolane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxolane
SMILESFC(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCCCCCOC1CCCCO1.FC(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCCCCCOC1CCCO1.FC(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCCCCOC1CCCCO1.FC(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCCCCOC1CCCO1.FC(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCCCOC1CCCCO1.FC(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCCCOC1CCCO1.FC(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCCOC1CCCCO1.FC(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCCOC1CCCO1.FC(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCOC1CCCCO1.FC(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCOC1CCCO1
InChIInChI=1S/C22H37F7O2.2C21H35F7O2.2C20H33F7O2.2C19H31F7O2.2C18H29F7O2.C17H27F7O2/c23-20(24,21(25,26)22(27,28)29)16-12-9-7-5-3-1-2-4-6-8-10-13-17-30-19-15-11-14-18-31-19;22-19(23,20(24,25)21(26,27)28)15-11-8-6-4-2-1-3-5-7-9-12-16-29-18-14-10-13-17-30-18;22-19(23,20(24,25)21(26,27)28)15-11-9-7-5-3-1-2-4-6-8-10-12-16-29-18-14-13-17-30-18;21-18(22,19(23,24)20(25,26)27)14-10-7-5-3-1-2-4-6-8-11-15-28-17-13-9-12-16-29-17;21-18(22,19(23,24)20(25,26)27)14-10-8-6-4-2-1-3-5-7-9-11-15-28-17-13-12-16-29-17;20-17(21,18(22,23)19(24,25)26)13-9-6-4-2-1-3-5-7-10-14-27-16-12-8-11-15-28-16;20-17(21,18(22,23)19(24,25)26)13-9-7-5-3-1-2-4-6-8-10-14-27-16-12-11-15-28-16;19-16(20,17(21,22)18(23,24)25)12-8-5-3-1-2-4-6-9-13-26-15-11-7-10-14-27-15;19-16(20,17(21,22)18(23,24)25)12-8-6-4-2-1-3-5-7-9-13-26-15-11-10-14-27-15;18-15(19,16(20,21)17(22,23)24)11-7-5-3-1-2-4-6-8-12-25-14-10-9-13-26-14/h19H,1-18H2;2*18H,1-17H2;2*17H,1-16H2;2*16H,1-15H2;2*15H,1-14H2;14H,1-13H2
InChIKeyLEAYMUHZLNZSHO-UHFFFAOYSA-N
XLogP74.59
TPSA184.60 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds150
Heavy Atoms285
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004314.55
LogP ≤ 574.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxane;2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxolane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxolane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxolane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxolane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxane;2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxolane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxolane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxolane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxolane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxolane?
The IUPAC name of 2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxane;2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxolane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxolane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxolane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxolane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxolane (CID 159323383) is 2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxane;2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxolane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxolane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxolane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxolane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxolane.
What is the SMILES notation for 2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxane;2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxolane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxolane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxolane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxolane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxolane?
The canonical SMILES for 2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxane;2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxolane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxolane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxolane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxolane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxolane is FC(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCCCCCOC1CCCCO1.FC(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCCCCCOC1CCCO1.FC(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCCCCOC1CCCCO1.FC(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCCCCOC1CCCO1.FC(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCCCOC1CCCCO1.FC(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCCCOC1CCCO1.FC(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCCOC1CCCCO1.FC(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCCOC1CCCO1.FC(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCOC1CCCCO1.FC(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCOC1CCCO1.
What is the InChIKey of 2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxane;2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxolane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxolane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxolane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxolane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxolane?
The InChIKey is LEAYMUHZLNZSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37F7O2.2C21H35F7O2.2C20H33F7O2.2C19H31F7O2.2C18H29F7O2.C17H27F7O2/c23-20(24,21(25,26)22(27,28)29)16-12-9-7-5-3-1-2-4-6-8-10-13-17-30-19-15-11-14-18-31-19;22-19(23,20(24,25)21(26,27)28)15-11-8-6-4-2-1-3-5-7-9-12-16-29-18-14-10-13-17-30-18;22-19(23,20(24,25)21(26,27)28)15-11-9-7-5-3-1-2-4-6-8-10-12-16-29-18-14-13-17-30-18;21-18(22,19(23,24)20(25,26)27)14-10-7-5-3-1-2-4-6-8-11-15-28-17-13-9-12-16-29-17;21-18(22,19(23,24)20(25,26)27)14-10-8-6-4-2-1-3-5-7-9-11-15-28-17-13-12-16-29-17;20-17(21,18(22,23)19(24,25)26)13-9-6-4-2-1-3-5-7-10-14-27-16-12-8-11-15-28-16;20-17(21,18(22,23)19(24,25)26)13-9-7-5-3-1-2-4-6-8-10-14-27-16-12-11-15-28-16;19-16(20,17(21,22)18(23,24)25)12-8-5-3-1-2-4-6-9-13-26-15-11-7-10-14-27-15;19-16(20,17(21,22)18(23,24)25)12-8-6-4-2-1-3-5-7-9-13-26-15-11-10-14-27-15;18-15(19,16(20,21)17(22,23)24)11-7-5-3-1-2-4-6-8-12-25-14-10-9-13-26-14/h19H,1-18H2;2*18H,1-17H2;2*17H,1-16H2;2*16H,1-15H2;2*15H,1-14H2;14H,1-13H2.
What are the key properties of 2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxane;2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxolane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxolane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxolane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxolane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxolane?
2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxane;2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxolane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxolane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxolane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxolane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxolane has a molecular weight of 4314.55 g/mol, XLogP of 74.59, 150 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxane;2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxolane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxolane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxolane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxolane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxolane is sourced from PubChem (CID 159323383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).