2-(2-butoxyethoxy)ethyl 2,2,2-trifluoroacetate

C10H17F3O4 — CID 526892

IUPAC2-(2-butoxyethoxy)ethyl 2,2,2-trifluoroacetate
SMILESCCCCOCCOCCOC(=O)C(F)(F)F
InChIInChI=1S/C10H17F3O4/c1-2-3-4-15-5-6-16-7-8-17-9(14)10(11,12)13/h2-8H2,1H3
InChIKeyPITLYPONAMTONM-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.93
Rot. Bonds9

About 2-(2-butoxyethoxy)ethyl 2,2,2-trifluoroacetate

2-(2-butoxyethoxy)ethyl 2,2,2-trifluoroacetate (PubChem CID 526892) has the molecular formula C10H17F3O4 and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)ethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-(2-butoxyethoxy)ethyl 2,2,2-trifluoroacetate
PubChem CID526892
Molecular FormulaC10H17F3O4
Molecular Weight258.24 g/mol
Exact Mass258.11
IUPAC Name2-(2-butoxyethoxy)ethyl 2,2,2-trifluoroacetate
SMILESCCCCOCCOCCOC(=O)C(F)(F)F
InChIInChI=1S/C10H17F3O4/c1-2-3-4-15-5-6-16-7-8-17-9(14)10(11,12)13/h2-8H2,1H3
InChIKeyPITLYPONAMTONM-UHFFFAOYSA-N
XLogP1.93
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.93
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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Related Compounds

Diethylene glycol monobutyl ether acetate
CID 31288
11,11,12,12,13,13,13-Heptafluoro-10-oxo-3,6,9-trioxatridec-1-yl heptafluorobutyrate
CID 91737749
2-[2-(2,2,3,3,3-Pentafluoropropanoyl)oxyethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate
CID 89804272
2-(2-Methoxyethoxy)ethyl 2,2,2-trifluoroacetate
CID 91692267
4-Butoxybutyl trifluoroacetate
CID 12452742
2-[2-[2-(2-Butoxyethoxy)ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 526864
2-[2-(2-Butoxyethoxy)ethoxy]ethyl trifluoroacetate
CID 526867
2-Butoxyethyl 2,2,2-trifluoroacetate
CID 526905
2-[2-[2-[2-(2-Butoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 6428237
2-(2-Ethoxyethoxy)ethyl 2,2,3,3,3-pentafluoropropanoate
CID 10755167
2-(2-Ethoxyethoxy)ethyl 2,2,2-trifluoroacetate
CID 10799452
2-[2-(2-Ethoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 91692261

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)ethyl 2,2,2-trifluoroacetate?
The IUPAC name of 2-(2-butoxyethoxy)ethyl 2,2,2-trifluoroacetate (CID 526892) is 2-(2-butoxyethoxy)ethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-(2-butoxyethoxy)ethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2-(2-butoxyethoxy)ethyl 2,2,2-trifluoroacetate is CCCCOCCOCCOC(=O)C(F)(F)F.
What is the InChIKey of 2-(2-butoxyethoxy)ethyl 2,2,2-trifluoroacetate?
The InChIKey is PITLYPONAMTONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O4/c1-2-3-4-15-5-6-16-7-8-17-9(14)10(11,12)13/h2-8H2,1H3.
What are the key properties of 2-(2-butoxyethoxy)ethyl 2,2,2-trifluoroacetate?
2-(2-butoxyethoxy)ethyl 2,2,2-trifluoroacetate has a molecular weight of 258.24 g/mol, XLogP of 1.93, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)ethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 526892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).