2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate

C12H17F7O5 — CID 91692261

IUPAC2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
SMILESCCOCCOCCOCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H17F7O5/c1-2-21-3-4-22-5-6-23-7-8-24-9(20)10(13,14)11(15,16)12(17,18)19/h2-8H2,1H3
InChIKeyIMIBMDPKWPTZHS-UHFFFAOYSA-N
MW374.25 g/mol
LogP2.43
Rot. Bonds12

About 2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate

2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate (PubChem CID 91692261) has the molecular formula C12H17F7O5 and a molecular weight of 374.25 g/mol. Its IUPAC name is 2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate.

Molecular Properties

Compound Name2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
PubChem CID91692261
Molecular FormulaC12H17F7O5
Molecular Weight374.25 g/mol
Exact Mass374.10
IUPAC Name2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
SMILESCCOCCOCCOCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H17F7O5/c1-2-21-3-4-22-5-6-23-7-8-24-9(20)10(13,14)11(15,16)12(17,18)19/h2-8H2,1H3
InChIKeyIMIBMDPKWPTZHS-UHFFFAOYSA-N
XLogP2.43
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-ethoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The IUPAC name of 2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate (CID 91692261) is 2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate.
What is the SMILES notation for 2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The canonical SMILES for 2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate is CCOCCOCCOCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The InChIKey is IMIBMDPKWPTZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F7O5/c1-2-21-3-4-22-5-6-23-7-8-24-9(20)10(13,14)11(15,16)12(17,18)19/h2-8H2,1H3.
What are the key properties of 2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate?
2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate has a molecular weight of 374.25 g/mol, XLogP of 2.43, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate is sourced from PubChem (CID 91692261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).