2-butoxyethyl 2,2,2-trifluoroacetate

C8H13F3O3 — CID 526905

IUPAC2-butoxyethyl 2,2,2-trifluoroacetate
SMILESCCCCOCCOC(=O)C(F)(F)F
InChIInChI=1S/C8H13F3O3/c1-2-3-4-13-5-6-14-7(12)8(9,10)11/h2-6H2,1H3
InChIKeyNIMPJBNMRJJAEE-UHFFFAOYSA-N
MW214.18 g/mol
LogP1.91
Rot. Bonds6

About 2-butoxyethyl 2,2,2-trifluoroacetate

2-butoxyethyl 2,2,2-trifluoroacetate (PubChem CID 526905) has the molecular formula C8H13F3O3 and a molecular weight of 214.18 g/mol. Its IUPAC name is 2-butoxyethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-butoxyethyl 2,2,2-trifluoroacetate
PubChem CID526905
Molecular FormulaC8H13F3O3
Molecular Weight214.18 g/mol
Exact Mass214.08
IUPAC Name2-butoxyethyl 2,2,2-trifluoroacetate
SMILESCCCCOCCOC(=O)C(F)(F)F
InChIInChI=1S/C8H13F3O3/c1-2-3-4-13-5-6-14-7(12)8(9,10)11/h2-6H2,1H3
InChIKeyNIMPJBNMRJJAEE-UHFFFAOYSA-N
XLogP1.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-butoxyethyl 2,2,2-trifluoroacetate?
The IUPAC name of 2-butoxyethyl 2,2,2-trifluoroacetate (CID 526905) is 2-butoxyethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-butoxyethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2-butoxyethyl 2,2,2-trifluoroacetate is CCCCOCCOC(=O)C(F)(F)F.
What is the InChIKey of 2-butoxyethyl 2,2,2-trifluoroacetate?
The InChIKey is NIMPJBNMRJJAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O3/c1-2-3-4-13-5-6-14-7(12)8(9,10)11/h2-6H2,1H3.
What are the key properties of 2-butoxyethyl 2,2,2-trifluoroacetate?
2-butoxyethyl 2,2,2-trifluoroacetate has a molecular weight of 214.18 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 526905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).