2-(2-ethoxyethoxy)ethyl 2-fluoropropanoate

C9H17FO4 — CID 57134325

IUPAC2-(2-ethoxyethoxy)ethyl 2-fluoropropanoate
SMILESCCOCCOCCOC(=O)C(C)F
InChIInChI=1S/C9H17FO4/c1-3-12-4-5-13-6-7-14-9(11)8(2)10/h8H,3-7H2,1-2H3
InChIKeyFPABQXMWGXHYOS-UHFFFAOYSA-N
MW208.23 g/mol
LogP0.94
Rot. Bonds8

About 2-(2-ethoxyethoxy)ethyl 2-fluoropropanoate

2-(2-ethoxyethoxy)ethyl 2-fluoropropanoate (PubChem CID 57134325) has the molecular formula C9H17FO4 and a molecular weight of 208.23 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethyl 2-fluoropropanoate.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethyl 2-fluoropropanoate
PubChem CID57134325
Molecular FormulaC9H17FO4
Molecular Weight208.23 g/mol
Exact Mass208.11
IUPAC Name2-(2-ethoxyethoxy)ethyl 2-fluoropropanoate
SMILESCCOCCOCCOC(=O)C(C)F
InChIInChI=1S/C9H17FO4/c1-3-12-4-5-13-6-7-14-9(11)8(2)10/h8H,3-7H2,1-2H3
InChIKeyFPABQXMWGXHYOS-UHFFFAOYSA-N
XLogP0.94
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethyl 2-fluoropropanoate?
The IUPAC name of 2-(2-ethoxyethoxy)ethyl 2-fluoropropanoate (CID 57134325) is 2-(2-ethoxyethoxy)ethyl 2-fluoropropanoate.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethyl 2-fluoropropanoate?
The canonical SMILES for 2-(2-ethoxyethoxy)ethyl 2-fluoropropanoate is CCOCCOCCOC(=O)C(C)F.
What is the InChIKey of 2-(2-ethoxyethoxy)ethyl 2-fluoropropanoate?
The InChIKey is FPABQXMWGXHYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO4/c1-3-12-4-5-13-6-7-14-9(11)8(2)10/h8H,3-7H2,1-2H3.
What are the key properties of 2-(2-ethoxyethoxy)ethyl 2-fluoropropanoate?
2-(2-ethoxyethoxy)ethyl 2-fluoropropanoate has a molecular weight of 208.23 g/mol, XLogP of 0.94, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethyl 2-fluoropropanoate is sourced from PubChem (CID 57134325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).