2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

C20H29F13O7 — CID 101245855

IUPAC2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCOCCOCCOCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C20H29F13O7/c21-15(22,16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33)1-3-35-5-7-37-9-11-39-13-14-40-12-10-38-8-6-36-4-2-34/h34H,1-14H2
InChIKeyBQYGHXUAOMWKDB-UHFFFAOYSA-N
MW628.42 g/mol
LogP4.21
Rot. Bonds24

About 2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 101245855) has the molecular formula C20H29F13O7 and a molecular weight of 628.42 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
PubChem CID101245855
Molecular FormulaC20H29F13O7
Molecular Weight628.42 g/mol
Exact Mass628.17
IUPAC Name2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCOCCOCCOCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C20H29F13O7/c21-15(22,16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33)1-3-35-5-7-37-9-11-39-13-14-40-12-10-38-8-6-36-4-2-34/h34H,1-14H2
InChIKeyBQYGHXUAOMWKDB-UHFFFAOYSA-N
XLogP4.21
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500628.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol 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

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
15,15,16,16,17,17,18,18,19,19,20,20,20-Tridecafluoro-3,6,9,12-tetraoxaicosane-1-ol
CID 101245853
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
16,16,17,17,18,18,19,19,20,20,21,21,22,22,22-Pentadecafluoro-3,6,9,12,15-pentaoxadocosan-1-ol
CID 138396356
HOPAs n=3 m=8
CID 139594226
HOPAs n=3 m=15
CID 139594575

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 101245855) is 2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is OCCOCCOCCOCCOCCOCCOCCC(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-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is BQYGHXUAOMWKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F13O7/c21-15(22,16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33)1-3-35-5-7-37-9-11-39-13-14-40-12-10-38-8-6-36-4-2-34/h34H,1-14H2.
What are the key properties of 2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 628.42 g/mol, XLogP of 4.21, 24 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 101245855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).