2-[2-[2-[2-[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol

C17H21F15O6 — CID 138396356

IUPAC2-[2-[2-[2-[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCOCCOCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H21F15O6/c18-11(19,12(20,21)14(24,25)16(28,29)30)13(22,23)15(26,27)17(31,32)38-10-9-37-8-7-36-6-5-35-4-3-34-2-1-33/h33H,1-10H2
InChIKeyKZKAFTRHTVZIGR-UHFFFAOYSA-N
MW606.32 g/mol
LogP4.39
Rot. Bonds20

About 2-[2-[2-[2-[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 138396356) has the molecular formula C17H21F15O6 and a molecular weight of 606.32 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
PubChem CID138396356
Molecular FormulaC17H21F15O6
Molecular Weight606.32 g/mol
Exact Mass606.11
IUPAC Name2-[2-[2-[2-[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCOCCOCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H21F15O6/c18-11(19,12(20,21)14(24,25)16(28,29)30)13(22,23)15(26,27)17(31,32)38-10-9-37-8-7-36-6-5-35-4-3-34-2-1-33/h33H,1-10H2
InChIKeyKZKAFTRHTVZIGR-UHFFFAOYSA-N
XLogP4.39
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.32
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2-[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol with MolForge

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Related Compounds

HOPAs n=3 m=10
CID 139595002
HOPAs n=3 m=11
CID 139594905
HOPAs n=3 m=13
CID 13751349
2-[(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)oxy]ethan-1-ol
CID 14433681
HOPAs n=4 m=10
CID 14439588
2-[(2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptyl)oxy]ethan-1-ol
CID 23262451
2-[(3,3,4,4,5,5,6,6,6-Nonafluorohexyl)oxy]ethanol
CID 59378527
15,15,16,16,17,17,18,18,19,19,20,20,20-Tridecafluoro-3,6,9,12-tetraoxaicosane-1-ol
CID 101245853
2-{2-(2-(2-[2-(2-(2-(Perfluorohexyl)ethoxy)ethoxy]ethoxy)ethoxy)ethoxy)ethoxy}ethanol
CID 101245855
36,36,37,37,38,38,39,39,40,40,41,41,41-Tridecafluoro-3,6,9,12,15,18,21,24,27,30,33-undecaoxahentetracontan-1-ol
CID 102274627
HOPAs n=3 m=16
CID 118253296
HOPAs n=3 m=8
CID 139594226

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 138396356) is 2-[2-[2-[2-[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol is OCCOCCOCCOCCOCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[2-[2-[2-[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is KZKAFTRHTVZIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F15O6/c18-11(19,12(20,21)14(24,25)16(28,29)30)13(22,23)15(26,27)17(31,32)38-10-9-37-8-7-36-6-5-35-4-3-34-2-1-33/h33H,1-10H2.
What are the key properties of 2-[2-[2-[2-[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 606.32 g/mol, XLogP of 4.39, 20 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 138396356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).