2-(20,20,20-trifluoroicosoxy)oxane;2-(20,20,20-trifluoroicosoxy)oxolane;2-(19,19,19-trifluorononadecoxy)oxane;2-(19,19,19-trifluorononadecoxy)oxolane;2-(18,18,18-trifluorooctadecoxy)oxane;2-(18,18,18-trifluorooctadecoxy)oxolane

C141H264F18O12 — CID 160655550

IUPAC2-(20,20,20-trifluoroicosoxy)oxane;2-(20,20,20-trifluoroicosoxy)oxolane;2-(19,19,19-trifluorononadecoxy)oxane;2-(19,19,19-trifluorononadecoxy)oxolane;2-(18,18,18-trifluorooctadecoxy)oxane;2-(18,18,18-trifluorooctadecoxy)oxolane
SMILESFC(F)(F)CCCCCCCCCCCCCCCCCCCOC1CCCCO1.FC(F)(F)CCCCCCCCCCCCCCCCCCCOC1CCCO1.FC(F)(F)CCCCCCCCCCCCCCCCCCOC1CCCCO1.FC(F)(F)CCCCCCCCCCCCCCCCCCOC1CCCO1.FC(F)(F)CCCCCCCCCCCCCCCCCOC1CCCCO1.FC(F)(F)CCCCCCCCCCCCCCCCCOC1CCCO1
InChIInChI=1S/C25H47F3O2.2C24H45F3O2.2C23H43F3O2.C22H41F3O2/c26-25(27,28)21-17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-22-29-24-20-16-19-23-30-24;25-24(26,27)20-16-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-21-28-23-19-15-18-22-29-23;25-24(26,27)20-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-21-28-23-19-18-22-29-23;24-23(25,26)19-15-12-10-8-6-4-2-1-3-5-7-9-11-13-16-20-27-22-18-14-17-21-28-22;24-23(25,26)19-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-20-27-22-18-17-21-28-22;23-22(24,25)18-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19-26-21-17-16-20-27-21/h24H,1-23H2;2*23H,1-22H2;2*22H,1-21H2;21H,1-20H2
InChIKeyRKZMCDLMVLIVAJ-UHFFFAOYSA-N
MW2493.62 g/mol
LogP51.17
Rot. Bonds114

About 2-(20,20,20-trifluoroicosoxy)oxane;2-(20,20,20-trifluoroicosoxy)oxolane;2-(19,19,19-trifluorononadecoxy)oxane;2-(19,19,19-trifluorononadecoxy)oxolane;2-(18,18,18-trifluorooctadecoxy)oxane;2-(18,18,18-trifluorooctadecoxy)oxolane

2-(20,20,20-trifluoroicosoxy)oxane;2-(20,20,20-trifluoroicosoxy)oxolane;2-(19,19,19-trifluorononadecoxy)oxane;2-(19,19,19-trifluorononadecoxy)oxolane;2-(18,18,18-trifluorooctadecoxy)oxane;2-(18,18,18-trifluorooctadecoxy)oxolane (PubChem CID 160655550) has the molecular formula C141H264F18O12 and a molecular weight of 2493.62 g/mol. Its IUPAC name is 2-(20,20,20-trifluoroicosoxy)oxane;2-(20,20,20-trifluoroicosoxy)oxolane;2-(19,19,19-trifluorononadecoxy)oxane;2-(19,19,19-trifluorononadecoxy)oxolane;2-(18,18,18-trifluorooctadecoxy)oxane;2-(18,18,18-trifluorooctadecoxy)oxolane.

Molecular Properties

Compound Name2-(20,20,20-trifluoroicosoxy)oxane;2-(20,20,20-trifluoroicosoxy)oxolane;2-(19,19,19-trifluorononadecoxy)oxane;2-(19,19,19-trifluorononadecoxy)oxolane;2-(18,18,18-trifluorooctadecoxy)oxane;2-(18,18,18-trifluorooctadecoxy)oxolane
PubChem CID160655550
Molecular FormulaC141H264F18O12
Molecular Weight2493.62 g/mol
Exact Mass2491.98
IUPAC Name2-(20,20,20-trifluoroicosoxy)oxane;2-(20,20,20-trifluoroicosoxy)oxolane;2-(19,19,19-trifluorononadecoxy)oxane;2-(19,19,19-trifluorononadecoxy)oxolane;2-(18,18,18-trifluorooctadecoxy)oxane;2-(18,18,18-trifluorooctadecoxy)oxolane
SMILESFC(F)(F)CCCCCCCCCCCCCCCCCCCOC1CCCCO1.FC(F)(F)CCCCCCCCCCCCCCCCCCCOC1CCCO1.FC(F)(F)CCCCCCCCCCCCCCCCCCOC1CCCCO1.FC(F)(F)CCCCCCCCCCCCCCCCCCOC1CCCO1.FC(F)(F)CCCCCCCCCCCCCCCCCOC1CCCCO1.FC(F)(F)CCCCCCCCCCCCCCCCCOC1CCCO1
InChIInChI=1S/C25H47F3O2.2C24H45F3O2.2C23H43F3O2.C22H41F3O2/c26-25(27,28)21-17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-22-29-24-20-16-19-23-30-24;25-24(26,27)20-16-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-21-28-23-19-15-18-22-29-23;25-24(26,27)20-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-21-28-23-19-18-22-29-23;24-23(25,26)19-15-12-10-8-6-4-2-1-3-5-7-9-11-13-16-20-27-22-18-14-17-21-28-22;24-23(25,26)19-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-20-27-22-18-17-21-28-22;23-22(24,25)18-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19-26-21-17-16-20-27-21/h24H,1-23H2;2*23H,1-22H2;2*22H,1-21H2;21H,1-20H2
InChIKeyRKZMCDLMVLIVAJ-UHFFFAOYSA-N
XLogP51.17
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds114
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002493.62
LogP ≤ 551.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-(20,20,20-trifluoroicosoxy)oxane;2-(20,20,20-trifluoroicosoxy)oxolane;2-(19,19,19-trifluorononadecoxy)oxane;2-(19,19,19-trifluorononadecoxy)oxolane;2-(18,18,18-trifluorooctadecoxy)oxane;2-(18,18,18-trifluorooctadecoxy)oxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4,4,4-trifluorobutoxy)ethoxy]oxane
CID 150396378
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
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904
2-(12-bromododecoxy)oxane
CID 11078592
2-octacosoxyoxane
CID 11214102
12-(oxan-2-yloxy)dodecan-1-amine
CID 170028710
2-(12-chlorododecoxy)oxane
CID 14014573
2-(18-iodooctadecoxy)oxane
CID 86124950
2-methyl-6-(oxan-2-yloxy)hexan-2-ol
CID 10727469
2-(14-cyclobutyltetradecoxy)oxane
CID 151611436
2-(4,4-dimethylpentoxy)oxane
CID 59628221

Frequently Asked Questions

What is the IUPAC name of 2-(20,20,20-trifluoroicosoxy)oxane;2-(20,20,20-trifluoroicosoxy)oxolane;2-(19,19,19-trifluorononadecoxy)oxane;2-(19,19,19-trifluorononadecoxy)oxolane;2-(18,18,18-trifluorooctadecoxy)oxane;2-(18,18,18-trifluorooctadecoxy)oxolane?
The IUPAC name of 2-(20,20,20-trifluoroicosoxy)oxane;2-(20,20,20-trifluoroicosoxy)oxolane;2-(19,19,19-trifluorononadecoxy)oxane;2-(19,19,19-trifluorononadecoxy)oxolane;2-(18,18,18-trifluorooctadecoxy)oxane;2-(18,18,18-trifluorooctadecoxy)oxolane (CID 160655550) is 2-(20,20,20-trifluoroicosoxy)oxane;2-(20,20,20-trifluoroicosoxy)oxolane;2-(19,19,19-trifluorononadecoxy)oxane;2-(19,19,19-trifluorononadecoxy)oxolane;2-(18,18,18-trifluorooctadecoxy)oxane;2-(18,18,18-trifluorooctadecoxy)oxolane.
What is the SMILES notation for 2-(20,20,20-trifluoroicosoxy)oxane;2-(20,20,20-trifluoroicosoxy)oxolane;2-(19,19,19-trifluorononadecoxy)oxane;2-(19,19,19-trifluorononadecoxy)oxolane;2-(18,18,18-trifluorooctadecoxy)oxane;2-(18,18,18-trifluorooctadecoxy)oxolane?
The canonical SMILES for 2-(20,20,20-trifluoroicosoxy)oxane;2-(20,20,20-trifluoroicosoxy)oxolane;2-(19,19,19-trifluorononadecoxy)oxane;2-(19,19,19-trifluorononadecoxy)oxolane;2-(18,18,18-trifluorooctadecoxy)oxane;2-(18,18,18-trifluorooctadecoxy)oxolane is FC(F)(F)CCCCCCCCCCCCCCCCCCCOC1CCCCO1.FC(F)(F)CCCCCCCCCCCCCCCCCCCOC1CCCO1.FC(F)(F)CCCCCCCCCCCCCCCCCCOC1CCCCO1.FC(F)(F)CCCCCCCCCCCCCCCCCCOC1CCCO1.FC(F)(F)CCCCCCCCCCCCCCCCCOC1CCCCO1.FC(F)(F)CCCCCCCCCCCCCCCCCOC1CCCO1.
What is the InChIKey of 2-(20,20,20-trifluoroicosoxy)oxane;2-(20,20,20-trifluoroicosoxy)oxolane;2-(19,19,19-trifluorononadecoxy)oxane;2-(19,19,19-trifluorononadecoxy)oxolane;2-(18,18,18-trifluorooctadecoxy)oxane;2-(18,18,18-trifluorooctadecoxy)oxolane?
The InChIKey is RKZMCDLMVLIVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47F3O2.2C24H45F3O2.2C23H43F3O2.C22H41F3O2/c26-25(27,28)21-17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-22-29-24-20-16-19-23-30-24;25-24(26,27)20-16-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-21-28-23-19-15-18-22-29-23;25-24(26,27)20-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-21-28-23-19-18-22-29-23;24-23(25,26)19-15-12-10-8-6-4-2-1-3-5-7-9-11-13-16-20-27-22-18-14-17-21-28-22;24-23(25,26)19-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-20-27-22-18-17-21-28-22;23-22(24,25)18-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19-26-21-17-16-20-27-21/h24H,1-23H2;2*23H,1-22H2;2*22H,1-21H2;21H,1-20H2.
What are the key properties of 2-(20,20,20-trifluoroicosoxy)oxane;2-(20,20,20-trifluoroicosoxy)oxolane;2-(19,19,19-trifluorononadecoxy)oxane;2-(19,19,19-trifluorononadecoxy)oxolane;2-(18,18,18-trifluorooctadecoxy)oxane;2-(18,18,18-trifluorooctadecoxy)oxolane?
2-(20,20,20-trifluoroicosoxy)oxane;2-(20,20,20-trifluoroicosoxy)oxolane;2-(19,19,19-trifluorononadecoxy)oxane;2-(19,19,19-trifluorononadecoxy)oxolane;2-(18,18,18-trifluorooctadecoxy)oxane;2-(18,18,18-trifluorooctadecoxy)oxolane has a molecular weight of 2493.62 g/mol, XLogP of 51.17, 114 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(20,20,20-trifluoroicosoxy)oxane;2-(20,20,20-trifluoroicosoxy)oxolane;2-(19,19,19-trifluorononadecoxy)oxane;2-(19,19,19-trifluorononadecoxy)oxolane;2-(18,18,18-trifluorooctadecoxy)oxane;2-(18,18,18-trifluorooctadecoxy)oxolane is sourced from PubChem (CID 160655550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).