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

C14H21F7O5 — CID 91693674

IUPAC2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
SMILESCCCCOCCOCCOCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H21F7O5/c1-2-3-4-23-5-6-24-7-8-25-9-10-26-11(22)12(15,16)13(17,18)14(19,20)21/h2-10H2,1H3
InChIKeyBZTFUNZLKSUPGB-UHFFFAOYSA-N
MW402.30 g/mol
LogP3.21
Rot. Bonds14

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

2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate (PubChem CID 91693674) has the molecular formula C14H21F7O5 and a molecular weight of 402.30 g/mol. Its IUPAC name is 2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate.

Molecular Properties

Compound Name2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
PubChem CID91693674
Molecular FormulaC14H21F7O5
Molecular Weight402.30 g/mol
Exact Mass402.13
IUPAC Name2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
SMILESCCCCOCCOCCOCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H21F7O5/c1-2-3-4-23-5-6-24-7-8-25-9-10-26-11(22)12(15,16)13(17,18)14(19,20)21/h2-10H2,1H3
InChIKeyBZTFUNZLKSUPGB-UHFFFAOYSA-N
XLogP3.21
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.30
LogP ≤ 53.21
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-butoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate (CID 91693674) is 2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate.
What is the SMILES notation for 2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The canonical SMILES for 2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate is CCCCOCCOCCOCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The InChIKey is BZTFUNZLKSUPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F7O5/c1-2-3-4-23-5-6-24-7-8-25-9-10-26-11(22)12(15,16)13(17,18)14(19,20)21/h2-10H2,1H3.
What are the key properties of 2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate?
2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate has a molecular weight of 402.30 g/mol, XLogP of 3.21, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate is sourced from PubChem (CID 91693674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).