2-[2-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octoxy]ethoxy]ethanol

C13H21F7O3 — CID 58901210

IUPAC2-[2-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octoxy]ethoxy]ethanol
SMILESOCCOCCOCCCCCCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H21F7O3/c14-11(12(15,16)17,13(18,19)20)5-3-1-2-4-7-22-9-10-23-8-6-21/h21H,1-10H2
InChIKeyYVUKKPSVPIWESN-UHFFFAOYSA-N
MW358.29 g/mol
LogP3.80
Rot. Bonds12

About 2-[2-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octoxy]ethoxy]ethanol

2-[2-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octoxy]ethoxy]ethanol (PubChem CID 58901210) has the molecular formula C13H21F7O3 and a molecular weight of 358.29 g/mol. Its IUPAC name is 2-[2-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octoxy]ethoxy]ethanol
PubChem CID58901210
Molecular FormulaC13H21F7O3
Molecular Weight358.29 g/mol
Exact Mass358.14
IUPAC Name2-[2-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octoxy]ethoxy]ethanol
SMILESOCCOCCOCCCCCCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H21F7O3/c14-11(12(15,16)17,13(18,19)20)5-3-1-2-4-7-22-9-10-23-8-6-21/h21H,1-10H2
InChIKeyYVUKKPSVPIWESN-UHFFFAOYSA-N
XLogP3.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.29
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[12-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]dodecoxy]ethoxy]ethoxy]ethanol
CID 71344110
7,8,8,8-tetrafluoro-7-(trifluoromethyl)octan-1-ol
CID 2776192
2-[8-(2-hydroxyethoxy)octoxy]ethanol
CID 174919525
2-[2-[2-(4,4,4-trifluorobutoxy)ethoxy]ethoxy]ethanol
CID 162536878
1,1,1,2-tetrafluoro-16-(3-methylbutoxy)-2-(trifluoromethyl)hexadecane
CID 126561772
12-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecan-1-ol
CID 134883585
8-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]octan-1-ol
CID 134883516
5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]pentan-1-ol
CID 87403032
3-(17,17,17-trifluoroheptadecoxy)propan-1-ol
CID 162744639
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 175701679
9-(4,4,4-trifluorobutoxy)nonan-1-ol
CID 22407961
2-[4-(2-hydroxyethylperoxy)butoxy]ethanol
CID 174979631

Frequently Asked Questions

What is the IUPAC name of 2-[2-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octoxy]ethoxy]ethanol (CID 58901210) is 2-[2-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octoxy]ethoxy]ethanol is OCCOCCOCCCCCCC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[2-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octoxy]ethoxy]ethanol?
The InChIKey is YVUKKPSVPIWESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F7O3/c14-11(12(15,16)17,13(18,19)20)5-3-1-2-4-7-22-9-10-23-8-6-21/h21H,1-10H2.
What are the key properties of 2-[2-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octoxy]ethoxy]ethanol?
2-[2-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octoxy]ethoxy]ethanol has a molecular weight of 358.29 g/mol, XLogP of 3.80, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octoxy]ethoxy]ethanol is sourced from PubChem (CID 58901210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).