2-(2-butoxyethoxy)ethyl 2,2,3,3,3-pentafluoropropanoate

C11H17F5O4 — CID 91693632

IUPAC2-(2-butoxyethoxy)ethyl 2,2,3,3,3-pentafluoropropanoate
SMILESCCCCOCCOCCOC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H17F5O4/c1-2-3-4-18-5-6-19-7-8-20-9(17)10(12,13)11(14,15)16/h2-8H2,1H3
InChIKeyBVFJSGYWFZESCP-UHFFFAOYSA-N
MW308.24 g/mol
LogP2.56
Rot. Bonds10

About 2-(2-butoxyethoxy)ethyl 2,2,3,3,3-pentafluoropropanoate

2-(2-butoxyethoxy)ethyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 91693632) has the molecular formula C11H17F5O4 and a molecular weight of 308.24 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)ethyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name2-(2-butoxyethoxy)ethyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID91693632
Molecular FormulaC11H17F5O4
Molecular Weight308.24 g/mol
Exact Mass308.10
IUPAC Name2-(2-butoxyethoxy)ethyl 2,2,3,3,3-pentafluoropropanoate
SMILESCCCCOCCOCCOC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H17F5O4/c1-2-3-4-18-5-6-19-7-8-20-9(17)10(12,13)11(14,15)16/h2-8H2,1H3
InChIKeyBVFJSGYWFZESCP-UHFFFAOYSA-N
XLogP2.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Butyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 137079
2,2,3,3,4,4,4-Heptafluorobutyl butanoate
CID 75360841
Butyl 2,2,3,3,3-pentafluoropropanoate
CID 526448
11,11,12,12,13,13,13-Heptafluoro-10-oxo-3,6,9-trioxatridec-1-yl heptafluorobutyrate
CID 91737749
Butyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
CID 15938554
2-Methoxyethyl 2,2,3,3,3-pentafluoropropanoate
CID 58963643
2-(2,2,3,3,3-Pentafluoropropanoyl)oxyethyl 2,2,3,3,3-pentafluoropropanoate
CID 88930193
2-[2-(2,2,3,3,3-Pentafluoropropanoyl)oxyethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate
CID 89804272
2-[2-[2-(2-Butoxyethoxy)ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 526864
2-[2-(2-Butoxyethoxy)ethoxy]ethyl trifluoroacetate
CID 526867
2-(2-Butoxyethoxy)ethyl trifluoroacetate
CID 526892
2-Butoxyethyl 2,2,2-trifluoroacetate
CID 526905

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)ethyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of 2-(2-butoxyethoxy)ethyl 2,2,3,3,3-pentafluoropropanoate (CID 91693632) is 2-(2-butoxyethoxy)ethyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for 2-(2-butoxyethoxy)ethyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for 2-(2-butoxyethoxy)ethyl 2,2,3,3,3-pentafluoropropanoate is CCCCOCCOCCOC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(2-butoxyethoxy)ethyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is BVFJSGYWFZESCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F5O4/c1-2-3-4-18-5-6-19-7-8-20-9(17)10(12,13)11(14,15)16/h2-8H2,1H3.
What are the key properties of 2-(2-butoxyethoxy)ethyl 2,2,3,3,3-pentafluoropropanoate?
2-(2-butoxyethoxy)ethyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 308.24 g/mol, XLogP of 2.56, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)ethyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 91693632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).