2-[2-(4,4,4-trifluorobutoxy)ethoxy]oxane

C11H19F3O3 — CID 150396378

IUPAC2-[2-(4,4,4-trifluorobutoxy)ethoxy]oxane
SMILESFC(F)(F)CCCOCCOC1CCCCO1
InChIInChI=1S/C11H19F3O3/c12-11(13,14)5-3-6-15-8-9-17-10-4-1-2-7-16-10/h10H,1-9H2
InChIKeyHCUYNGHUBYEYOF-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.89
Rot. Bonds7

About 2-[2-(4,4,4-trifluorobutoxy)ethoxy]oxane

2-[2-(4,4,4-trifluorobutoxy)ethoxy]oxane (PubChem CID 150396378) has the molecular formula C11H19F3O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[2-(4,4,4-trifluorobutoxy)ethoxy]oxane.

Molecular Properties

Compound Name2-[2-(4,4,4-trifluorobutoxy)ethoxy]oxane
PubChem CID150396378
Molecular FormulaC11H19F3O3
Molecular Weight256.26 g/mol
Exact Mass256.13
IUPAC Name2-[2-(4,4,4-trifluorobutoxy)ethoxy]oxane
SMILESFC(F)(F)CCCOCCOC1CCCCO1
InChIInChI=1S/C11H19F3O3/c12-11(13,14)5-3-6-15-8-9-17-10-4-1-2-7-16-10/h10H,1-9H2
InChIKeyHCUYNGHUBYEYOF-UHFFFAOYSA-N
XLogP2.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.89
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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Related Compounds

2-(20,20,20-trifluoroicosoxy)oxane;2-(20,20,20-trifluoroicosoxy)oxolane;2-(19,19,19-trifluorononadecoxy)oxane;2-(19,19,19-trifluorononadecoxy)oxolane;2-(18,18,18-trifluorooctadecoxy)oxane;2-(18,18,18-trifluorooctadecoxy)oxolane
CID 160655550
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-[2-[2-(oxolan-2-yloxy)ethoxy]ethoxy]oxolane
CID 70907878
2-[2-[2-[3-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]-2,2-bis[2-[2-(oxan-2-yloxy)ethoxy]ethoxymethyl]propoxy]ethoxy]ethoxy]oxane
CID 11181986
2-[2-[2-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 119058274
2-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 124522873
2-[2-[2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 10646224
2-[2-(4-prop-2-ynoxybutoxy)ethoxy]oxane
CID 170636909
2-[3-(2-methoxyethoxy)propoxy]oxane
CID 158704924
2-(4,4-dimethylpentoxy)oxane
CID 59628221
2-[2-(cyclopropylmethoxy)ethoxy]oxane
CID 66652846
2-[2-(oxan-2-yloxy)ethoxy]ethanol;2-(2-propoxyethoxy)oxane
CID 160999917

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,4,4-trifluorobutoxy)ethoxy]oxane?
The IUPAC name of 2-[2-(4,4,4-trifluorobutoxy)ethoxy]oxane (CID 150396378) is 2-[2-(4,4,4-trifluorobutoxy)ethoxy]oxane.
What is the SMILES notation for 2-[2-(4,4,4-trifluorobutoxy)ethoxy]oxane?
The canonical SMILES for 2-[2-(4,4,4-trifluorobutoxy)ethoxy]oxane is FC(F)(F)CCCOCCOC1CCCCO1.
What is the InChIKey of 2-[2-(4,4,4-trifluorobutoxy)ethoxy]oxane?
The InChIKey is HCUYNGHUBYEYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O3/c12-11(13,14)5-3-6-15-8-9-17-10-4-1-2-7-16-10/h10H,1-9H2.
What are the key properties of 2-[2-(4,4,4-trifluorobutoxy)ethoxy]oxane?
2-[2-(4,4,4-trifluorobutoxy)ethoxy]oxane has a molecular weight of 256.26 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,4,4-trifluorobutoxy)ethoxy]oxane is sourced from PubChem (CID 150396378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).