2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate

C14H23F5O7 — CID 91694240

IUPAC2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate
SMILESCOCCOCCOCCOCCOCCOC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H23F5O7/c1-21-2-3-22-4-5-23-6-7-24-8-9-25-10-11-26-12(20)13(15,16)14(17,18)19/h2-11H2,1H3
InChIKeySYYYDXKEJJYKGC-UHFFFAOYSA-N
MW398.32 g/mol
LogP1.44
Rot. Bonds16

About 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate

2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 91694240) has the molecular formula C14H23F5O7 and a molecular weight of 398.32 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID91694240
Molecular FormulaC14H23F5O7
Molecular Weight398.32 g/mol
Exact Mass398.14
IUPAC Name2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate
SMILESCOCCOCCOCCOCCOCCOC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H23F5O7/c1-21-2-3-22-4-5-23-6-7-24-8-9-25-10-11-26-12(20)13(15,16)14(17,18)19/h2-11H2,1H3
InChIKeySYYYDXKEJJYKGC-UHFFFAOYSA-N
XLogP1.44
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.32
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate (CID 91694240) is 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate is COCCOCCOCCOCCOCCOC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is SYYYDXKEJJYKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F5O7/c1-21-2-3-22-4-5-23-6-7-24-8-9-25-10-11-26-12(20)13(15,16)14(17,18)19/h2-11H2,1H3.
What are the key properties of 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate?
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 398.32 g/mol, XLogP of 1.44, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 91694240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).